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Development of a Liquid-Fueled Molten Salt Reactor Safeguards Model

Shoman, Nathan; Cipiti, Benjamin B.

This work describes the ongoing work to develop a molten salt reactor (MSR) model and associated tools for safeguards analysis. A new flowsheet was developed in collaboration with Oak Ridge National Laboratory (ORNL) for the Molten Salt Demonstration Reactor (MSDR). This design was chosen by ORNL as a generic baseline design that could be used for safeguards research. The model has simple chemical processing that is less extensive than the two-fluid flowsheet developed in the last year. A detailed TRITON reactor physics model, provided by ORNL, was implemented into the process model. The process model now includes reactor parameters such as K-eff and decay heat, which could be used as part of an advanced safeguards approach. Finally, a set of generic safeguards tools based on current safeguards approaches were developed. These tools are flexible and can be used with most MSR flowsheets. ACKNOWLEDGEMENTS This work was funded by the Materials Protection Accounting and Control Technologies (MPACT) working group as part of the Fuel Cycle Technologies Program under the U.S. Department of Energy, Office of Nuclear Energy. The authors would also like to acknowledge Ben Betz ler for his work on the reactor physics models that were incorporated into the work and the continued collaboration with ORNL staff.

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The Solar Forecast Arbiter: An Open Source Evaluation Framework for Solar Forecasting

Conference Record of the IEEE Photovoltaic Specialists Conference

Hansen, Clifford; Holmgren, William F.; Tuohy, Aidan; Sharp, Justin; Lorenzo, Antonio T.; Boeman, Leland J.; Golnas, Anastasios

We describe an open source evaluation framework for solar forecasting to support the DOE Solar Forecasting 2 program and the broader solar forecast community. The framework enables evaluations of solar irradiance, solar power, and net-load forecasts that are impartial, repeatable and auditable. First, we define the use cases of the framework. The use cases, developed from the project's initial stakeholder engagement sessions, include comparisons to reference data sets, private forecast trials, evaluation of probabilistic forecast skill, and examinations of forecast errors during critical periods. We discuss the framework's data validation toolkit, reference data sources, and data privacy protocols. We describe the framework's benchmark forecast capabilities for intra-hour and day ahead forecast horizons. Finally, we summarize the reports and metrics that communicate the relative merits of the test and benchmark forecasts. The reports are created from standardized templates and include graphics for quantitatively evaluating deterministic and probabilistic forecasts and standard metrics for quantitatively evaluating forecasts.

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Vacuum Outgassing Study of Candidate Materials for Next Generation Pulsed Power and Accelerators: Improving the Boundary Conditions for Molecular Flow Simulations

IEEE International Pulsed Power Conference

Simpson, Sean; Goeke, Ronald S.; Bays, Nathan R.; Coombes, Kenneth R.; Bays, Nathan R.; Johns, Owen; Leckbee, Joshua; Nielsen, D.S.; Sceiford, M.E.

Next generation pulsed power (NGPP) machines and accelerators require a better understanding of the materials used within the vacuum vessels to achieve lower base pressures (P << 10-5 Torr) and reduce the overall contaminant inventory while incorporating various dielectric materials which tend to be unfavorable for ultra-high vacuum (UHV) applications. By improving the baseline vacuum, it may be possible to delay the onset of impedance collapse, reduce current loss on multi-mega Amp devices, or improve the lifetime of thermionic cathodes, etc [3]. In this study, we examine the vacuum outgassing rate of Rexolite® (cross-linked polystyrene) and Kel-F® (polychlorotrifluoroethylene) as candidate materials for vacuum insulators [1]. These values are then incorporated into boundary conditions for molecular flow simulations using COMSOL Multiphysics® and used to predict the performance of a prototypical pulsed power system designed for 10-8 Torr operations.

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Novel amorphous SiOC dispersion-strengthened austenitic steels

Materialia

Yan, Xueliang; Wang, Fei; Hattar, Khalid; Nastasi, Michael; Cui, Bai

A novel amorphous silicon oxycarbide dispersion-strengthened (SiOC-DS) austenitic steel has been fabricated via a powder metallurgy process. The microstructure of dispersion particles has been characterized by transmission electron microscopy (TEM) and electron backscatter diffraction (EBSD), revealing that amorphous SiOC nanoparticles with an average particle size of 30 nm were homogeneously distributed in the austenite grains with a sub-micrometer grain size. The high strength and hardness of SiOC-DS may be attributed to grain boundary strengthening, as well as dispersion strengthening via dislocation–particle interactions that were revealed by TEM investigations. In situ ion irradiation experiments showed that amorphous SiOC particles were stable after irradiation of 3.7 dpa, and the SiOC/steel interface can be an effective sink for the annihilation of irradiation defects. The excellent mechanical and irradiation properties of SiOC-DS austenitic steel make it a promising structural material for nuclear applications.

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MassTran Theory Guide (v0.19.1)

Bozinoski, Radoslav

The purpose of this report is to document the theoretical models utilized by the computer code MassTran. This report will focus on the theoretical models used to analyze high Mach number, fully compressible, transonic flows in pipes and networks.

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Advanced Simulation and Computing (ASC) Software Quality Plan: ASC Software Quality Engineering Practices (V.4.0)

Turgeon, Jennifer; Lujan, Christopher J.; Schneider, J.T.

The purpose of the Sandia National Laboratories (SNL) Advanced Simulation and Computing (ASC) Software Quality Plan is to clearly identify the software quality engineering practices that are the basis for continually improving the quality of ASC software products. This plan defines the SNL ASC Program software quality engineering practices and provides a mapping of these practices to Laboratory Policy System IT008: Provide Quality Software Policy. This plan also identifies ASC Program Management and the software project teams' responsibilities in implementing quality software engineering practices and in assessing progress towards achieving their software quality goals.

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Guidance on the Evaluation of Models for LNG fires

Luketa, Anay J.

This report provides datasets that can be used to validate models for Liquefied Natural Gas ( LNG ) fires, specifically those used to predict the thermal hazards from various types of fires from accidents involving LNG at land-based facilities. The datasets presented include pool fires, trench fires, jet fires, fireballs, and vapor cloud fires. Recommendations are provided regarding the method of quantification and the presentation of information for reporting the comparison.

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Uitlization Review Board Committee Charter

Pohl, Kim

Sandia National Lab's Employee Health Services (EHS) provides a range of ambulatory health care services. Acute care is provided in the Sandia Medical Clinic (SMC) where a broad spectrum of illnesses and injuries requiring urgent and immediate care are treated. The Health Management Clinic (HMC) is an onsite specialty care clinic designed to provide an exceptional level of care to mitigate and manage the care of chronic conditions that directly impact Sandia's healthcare dollars. These targeted conditions include diabetes and pre-diabetes, elevated lipids, hypertension, depression and anxiety, tobacco cessation, and weight loss.

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Uncertainty Quantification of Classifying Mechanical Breach in the Crash and Burn Problem

Frankel, A.

The prediction of mechanical breach in the Crash and Burn problem is important for designing the full system to minimize the probability of loss of containment. Due to uncertainties in the impact angle, material properties, and material models, it is not possible to define an exact critical impact speed at which the system breaches. Furthermore, the cost of running a large scale sampling study to determine the empirical probability of breach is prohibitive. In this work, surrogate models from machine learning, namely logistic regression and artificial neural networks, are introduced to predict binary classification of pass versus breach from a limited set of samples. The structure and calibration of these classifiers is discussed, and a set of metrics for describing the performance of the classifiers is introduced. The classifiers are used on the UUR version of the Crash model to attempt prediction of failure probability and perform variable sensitivity analysis. Where a single sample of the computational model can take hundreds of CPU-hours, training and evaluating a classifier can take seconds or less, thus giving high predictive power in a relatively short time.

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Effective Access Monitoring at Geological Repositories

Finch, Robert; Horowitz, Steven M.; Smartt, Heidi A.; Shoman, Nathan; Rechard, Robert P.; Haddal, Risa

Access points at a deep, mined geological repository (GR) for the disposal of spent nuclear fuel (SNF) and other nuclear wastes present potential diversion paths for nuclear material. Because C/S measures are not likely to be used underground, access to a GR will require unprecedented reliance on C/S measures to maintain continuity of knowledge (CoK) on SNF buried underground. We develop a model GR based on common features of GR designs from national programs in order to develop and optimize C/S measures for GR access points that maximize confidence that CoK is maintained on SNF underground. Critical access points identified in this study are surface entrances to (1) the GR ramp (2) the excavation shaft, (3) the main elevator shaft, and (4) the ventilation shaft. The first three are considered critical detection points (DPs), whereas the fourth is considered a non-critical DP. The reason for the distinction is due to the different design capabilities of shaft components: the first three (ramp, excavation shaft, main elevator) are all capable of being used to move material from the underground to the surface, whereas the ventilation shaft is not. Such capabilities are verified during periodic design information verification (DIV) inspections.

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Safeguards Information Assurance by Design

Blair, Dianna S.; Mccrory, Fredrick M.

The assurance of Safeguards Information is crucial to meet IAEA obligations. Information can be potentially at risk for alteration when it is generated, stored, transmitted, or manipulated (such as in a calculation). Where, when, and how information is assured can vary depending on where in the information lifecycle it exists. Often, information protection measures are not considered until after a system is architected and built or are only applied to a portion of the information system. This typically limits the effectiveness of information assurance, can increase the cost of assuring the information, and can reduce the trust in the information received. Designing information assurance into the architecture of a system can significantly reduce information vulnerability at an affordable cost while improving the trust of the information. This paper discusses safeguards information assurance by design and architectural approaches from a lifecycle perspective including potential tools that can be utilized to help define information assurance requirements and help validate the effectiveness of these requirements as the system transitions through the lifecycle. The tools discussed include risk management tools, architectural approaches, modeling approaches, and red teaming benefits.

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Sandia National Laboratories Advanced Simulation and Computing (ASC) Appraisal Method for the Implementation of the ASC Software Quality Engineering Practices (V.2.0)

Turgeon, Jennifer; Lujan, Christopher J.; Schneider, J.T.

This document provides a guide to the process of conducting software appraisals under the Sandia National Laboratories (SNL) ASC Program. The goal of this document is to describe a common methodology for planning, conducting, and reporting results of software appraisals thereby enabling: 1) Identification of improvements in implementation of the software quality engineering (SQE) practices identified in the ASC Software Quality Plan across the ASC Program against objective baselines. 2) Feedback from project teams on SQE opportunities for improvement. 3) Identification of strengths and opportunities for improvement for individual project teams. 4) Guidance to the ASC Program on the focus of future SQE activities. Document contents include process descriptions, templates to promote consistent conduct of appraisals, and an explanation of the relationship of this procedure to the SNL ASC software program. The activities described by this document are under the oversight of SNL ASC Program Director and SNL ASC Program Manager.

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Workspace and Office Design: A Review of the Literature

See, Judi E.; Hubbard, Patricia Y.; Surbey, Barbara J.

The Systems Analysis & Decision Support (02150) group completed a review of the research literature on workspace and office design in 2016 for the Asset Management Department (04853). The goal was to characterize results and lessons learned from existing research to understand the effectiveness of current workspaces at Sandia National Laboratories and inform guidance for future workspace design. The study team reviewed 96 documents, published primarily since the year 2000, covering a range of factors associated with workspace design - workspace costs, acoustics, collaboration and privacy, generational preferences, employee health, performance and productivity, organizational retention, and workspace satisfaction. The research literature consistently highlighted the relative deficiencies of open-plan office spaces as compared to traditional private enclosed offices for knowledge workers. While open-plan offices can provide some cost savings, they may not be cost effective in the long term due to future hidden costs incurred by degradations in employee productivity, increased attrition, and increased sickness absences as well as any post-construction modifications needed to resolve emerging workspace issues. The chief deficiencies of open-plan offices include lower levels of employee satisfaction due to reduced visual and auditory privacy, increased interruptions, distractions from irrelevant background speech, less physical space, and more ambient noise. The drawbacks reported in the literature tend to outweigh any benefits associated with potential facilitation of coworker interactions and collaboration. Key suggestions identified in the literature to guide and optimize workspace and office design are provided.

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Stress Assisted Degradation of Polydimethylsiloxane (PDMS) with Gold and Sapphire at Room Temperature

Pham, Minh; Dugger, Michael; Argibay, Nicolas; Nation, Brendan; Dickens, Sara

Polydimethylsiloxane (PDMS) is a great material to use in electronics since it is chemically stable over a wide range of temperature, hydrophobic, and doesn't swell in the presence of moisture. However, studies have shown that this material can degrade at room temperature, and even a small amount of it on electrical contacts can form an electrically insulating film. Under tribological conditions it can degrade even at room temperature, leading to an investigation to determine the factors that play into this degradation.

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Thermal Transport Gen3 Liquid-Pathway Funds Re-Allocation Proposal

Armijo, Kenneth M.

Further development of the Gen3 Liquid-Pathway project is necessary to address technical engineering challenges with respect to incorporation of a flow control valve and sodium system for the 2.0 MWth Pilot-Scale system. For the Thermal Transport development task 1.3, Sandia National Laboratories (SNL) originally set aside $\$$388,425 for the development of a heat trace test bed, however while the team felt that this work is necessary to de-risk a number critical design-related issues the team also has identified items that require more near-term attention. These items largely pertain to the Chloride molten salt values development, with operation up to 720°C, as well as operational mode/system design development as it pertains to the sodium system design, which is currently not included as part of the system design work. The Gen 3 project team requests the ~$\$$388k of funds be used to address these issues, where the previous work requested may be addressed with the 300kWth chloride molten salt loop. These funds would only be spent during the remainder of the Phase 1 budget period, in preparation of final design work for the Phase 2 portion of the project. For the Budget Summary below, please note that the values are burdened values and not raw values, so the actual values going to the entities will be less due to National Laboratory tax costs.

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RMS Assessment Report Final

Walser, Alex C.; Burnett, Louann C.

On behalf of the U.S. Department of Defense, Defense Threat Reduction Agency (DTRA) Biological Threat Reduction Program (BTRP), Sandia National Laboratories (SNL) Global Chemical and Biological Security (GCBS) group visited the Jordan Royal Medical Society (RMS) from 8 to 11 April 2019. The goal of this visit was to provide subject matter expertise and advisory support to DTRA/BTRP and RMS regarding RMS' desire to establish a self-sufficient biorisk management (BRIV1) training capability housed in a training centre programmed to provide biorisk management training to the Jordan military services and beyond. This report provides SNL/GCBS' assessment of the status of RMS' current and desired capability as a BRM Training Centre across four critical components: 1) Curriculum, 2) Trainers, 3) Oversight and Administration, and 4) Facility.

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Comparative Cost Analysis of Spent Nuclear Fuel Management Alternatives

Freeze, Geoffrey; Bonano, Evaristo J.; Kalinina, Elena A.; Meacham, Janette; Price, Laura L.; Swift, Peter; Beckman, Donald A.; Meacham, Paul

This report presents a comparative analysis of spent nuclear fuel management options to support the U.S. Department of Energy (DOE). Specifically, a set of scenarios was constructed to represent a range of possible combinations of alternative spent fuel management approaches. Analyses were performed to provide simple and credible estimates of relative costs to the U.S. government and to the nuclear utilities for moving forward with each scenario. The analyses of alternatives and options related to spent nuclear fuel management presented in this report are based on technical and programmatic considerations and do not include an evaluation of relevant regulatory and legal considerations (e.g., needs for new or modified regulations or legislation). This report has been prepared for informational and comparison purposes only and should not be construed as a determination of the legal permissibility of specific alternatives and options. No inferences should be drawn from this report regarding future actions by DOE. To the extent this report conflicts with provisions of the Standard Contract, those provisions prevail.

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Round Robin Tensile Testing of 50% cold worked Nitronic 60

Carroll, J.D.; Casias, Zachary; Rodelas, Jeffrey

This report documents recent experiments on the structural properties of Nitronic 60, Level 5 (cold worked to approximately 50% reduction in diameter). Material from two different vendors was examined. Different cold working approaches by the two vendors resulted in inhomogeneous material properties that varied as a function of distance from the center of the rod. Measurements were compared to Sandia specifications (7343200-7343207). The effect of several parameters on structural properties was examined, including lot-to-lot variability, lot diameter, radial location of tensile bars, tensile bar size, and cold working method. Most significantly, the apparent tensile strength, yield strength, and ductility were found to all vary with radial distance from the center of the bar.

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Application Note: Mixed Signal Simulation with Xyce 6.11

Sholander, Peter E.; Schiek, Richard

This application note describes how Release 6.11 of the Xyce circuit simulator can be coupled with external simulators via either a Python-based interface that leverages the Python ctypes foreign function library or via the Verilog Procedural Interface (VPI). It also documents the usage of these interfaces on RHEL6 and RHEL7, with Python 2.6 or 2.7. These interfaces are still under development and may change in the future. So, a key purpose of this application note is to solicit feedback on these interfaces from both internal Sandia Xyce users and other performers on the DARPA Posh Open Source Hardware (POSH) program.

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2018 Kinemetrics Q330M+ Digitizer Evaluation

Merchant, Bion J.; Slad, George W.

Sandia National Laboratories has tested and evaluated two Kinemetrics Q330M+ digitizers. The digitizers are intended to record sensor output for seismic and infrasound monitoring applications. Notable improvements to the Q330M+ include the support for transmission and authentication of CD1.1 data, integration of analog and digital weather stations, support for multiple gain amplification levels, and the use of a webpage for status and configuration of the digitizer. The purpose of this digitizer evaluation is to measure the performance characteristics in such areas as power consumption, input impedance, sensitivity, full scale, self-noise, dynamic range, system noise, response, passband, and timing. The digitizers are being evaluated for potential use in the International Monitoring System (IMS) of the Comprehensive Nuclear Test- Ban-Treaty Organization (CTBTO).

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PredNet Algorithm for NGSS Cameras: June 2019 Update [Slides]

Rutkowski, Joshua

PredNet experiments used datasets from the NGSS cameras at the Gamma Irradiation Facility at Sandia National Laboratories. PredNet results show containers entering the facility as anomalous and with these results we are now determining the best suited statistics to evaluate the outputs. A statistical evaluation of the number of pixels flagged during the testing for the container entering or exiting the facility shows significant differences between the two directions which is very promising

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Lessons Learned from Historical Counterintelligence Case Studies

Camp, Noelle

This report analyzes lessons learned from significant counterintelligence case studies, including espionage motivation, characteristics of spies, and successes and failures of preventive, protective, and investigative measures. The case studies span a 60-year period between 1941 and 2011, representing cases of both wartime and peacetime espionage. The spies comprise a range of nationalities, including German, Turkish, Swedish, and American. Additionally, the outcomes of the cases vary widely. While some spies were successfully investigated and prosecuted, others defected to another country or evaded suspicion entirely. The information included in these case studies provides a wealth of useful historical data for R&D efforts at Sandia. For example, the information contained in these case studies provides the basis for an ongoing (FY2019) comparative analysis of counterintelligence and insider threat mitigation in nuclear facilities. This page left blank

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ITRW: Formulating a Roadmap for WBG and UWBG Materials and Devices

Veliadis, Victor; Kaplar, Robert J.; Zhang, Jon; Khalil, Sameh; Flicker, Jack D.; Neely, Jason C.; Binder, Andrew T.; Atcitty, Stanley; Moens, Peter; Bakowski, Mietek; Hollis, Mark

The purpose of the International Technology Roadmap for Wide-Bandgap Power Semiconductors (ITRW) Materials and Devices Working Group, which considers the materials science of Wide-and Ultra-Wide-Band-Gap (WBG and UWBG) semiconductors, in addition to device design, fabrication, and evaluation, is to formulate a long-term, international roadmap for WBG and UWBG materials and devices, consistent with the packaging and applications working groups of ITRW. The working group is co-chaired by Victor Veliadis (primarily representing silicon carbide (SiC) and related materials) and Robert Kaplar (primarily representing gallium nitride (GaN) and related materials, as well as emerging ultra-WBGs) and is split into four sub-working-groups, which are: 1) SiC materials and devices (co-chairs Jon Zhang and Mietek Bakowski). 2) Lateral GaN materials and devices (co-chairs Sameh Khalil and Peter Moens). 3) Vertical GaN materials and devices (co-chairs TBD). 4) Emerging UWBG materials and devices (co-chairs Mark Hollis). The first two subgroups represent technology that is far more mature than that of the latter two, and devices are available as commercial products in power applications. The primary focus of this article will be on developments in subgroups 1 and 2, with only brief descriptions of the latter two sub-groups, including future activities as they mature technologically.

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V&V Integrated Program Planning for Wind Plant Performance

Naughton, Jonathan W.; Maniaci, David C.

The Department of Energy Atmosphere to Electrons (A2e) initiative has undertaken an experimental planning process for a validation directed program and an experimental planning process directed at improving simulations of wind plant performance. The validation process has been divided into two main sections: Integrated Program Planning, and Integrated Experiment and Model Planning and Execution. This document covers the Integrated Program Planning process in detail as it has been applied to the validation and assessment of models of various fidelity to predict wind plant performance. Three main parts of this process are presented in this document: the Phenomenon Identification and Ranking Table, the Validation Hierarchy, and the Prioritized Phenomenon and Experiment Mapping table. The document concludes with a description of validation program process next steps, which includes the planning and execution of integrated experiment and model campaigns

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Mechanical Response of Additively Manufactured Stainless Steel 304L Across a Wide Range of Loading Conditions

Adams, David P.; Reedlunn, Benjamin; Maguire, Michael C.; Song, Bo; Carroll, J.D.; Bishop, Joseph E.; Wise, Jack L.; Kilgo, Alice; Brown, Don W.; Clausen, Bjorn

The mechanical response of additively manufactured (AM) stainless steel 304L has been investigated across a broad range of loading conditions, covering 11 decades of strain rate, and compared with the behaviors of traditional ingot-derived (wrought) material. In general, the AM material exhibits a greater strength and reduced ductility compared with the baseline wrought form. These differences are consistently found from quasi-static and high strain rate tests. A detailed investigation of the microstructure, the defect structure, the phase, and the composition of both forms reveals differences that may contribute to the differing mechanical behaviors. Compared with the baseline wrought material, dense AM stainless steel 304L has a more complex grain structure with substantial sub-structure, a fine dispersion of ferrite, increased dislocation density, oxide dispersions and larger amounts of nitrogen. In-situ neutron diffraction studies conducted during quasi-static loading suggest that the increased strength of AM material is due to its initially greater dislocation density. The flow strength of both forms is correlated with dislocation density through a square root dependence akin to a Taylor-like relationship. Neutron diffraction measurements of lattice strains also correlate with a crystal plasticity finite element simulations of the tensile test. Other simulations predict a significant degree of elastic and plastic anisotropy due to crystallographic texture. Hopkinson tests at higher strain rates $\dot{ε}$ = 500 and 2500 s-1 ) also show a greater strength for AM stainless steel 304L; although, the differences compared with wrought are reduced at higher strain rates. Gas gun impact tests, including reverse ballistic, forward ballistic and spall tests, consistently reveal a larger dynamic strength in the AM material. The Hugoniot Elastic Limit (HEL) of AM SS 304L exceeds that of wrought material although considerable variability is observed with the AM material. Forward ballistic testing demonstrates spall strengths of AM material (3.27 -- 3.91 GPa) that exceed that of the wrought material (2.63 -- 2.88 GPa). The Hugoniot equation-of-state for AM samples matches archived data for this metal alloy.

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Assessment of the Available Drawdowns for Oil Storage Caverns at the Big Hill SPR Site - Cavern Integrity

Park, Byoung

This report updates the estimated values of the baseline available drawdowns for the caverns at the Big Hill storage facility, and an updated table listing the available drawdowns. A new finite element numerical analysis model was constructed that consists of a realistic mesh capturing the sonar-measured geometries of Big Hill SPR site and used the daily data of actual wellhead pressures and oil-brine interfaces. The number of available drawdowns for each of the Big Hill SPR caverns is estimated using the new model. All caverns are predicted to have five available drawdowns remaining from a geomechanical perspective. BC-101, 105, and 110 have a region of concern at the floor edge and/or sloping floor, where tensile and dilatant stresses are predicted to occur during each workover. The tensile state is predicted to occur because of the geometries of the edge and floor. Therefore, geomechanical examination for three caverns would be recommended after a drawdown leach. The well integrity of each cavern is not investigated in this report. The estimate of the number of baseline available drawdowns for the Big Hill caverns in this report will be incorporated in future assessments of the available drawdowns for all the SPR caverns. The estimates for the number of baseline available drawdowns are subject to change in the future as the knowledge of physical phenomena at the sites, and the further development of the models of geomechanical behavior at the sites, evolve over time.

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PSL-AC-CP-1102-004-03: Electrostatic Discharge Simulator Kit Model 930D and Associated Current-Viewing Resistor (V.04)

Brien, Edward'

This document provides instructions for calibrating the Electro-Tech (ETS) electrostatic discharge (ESD) simulator, Model 930D. The calibration shall meet the ± 5% specification for resistance and capacitance as specified in MIL-STD-331C 2009 newer. A series of direct measurements of the Device Under Test (DUT) output at 25 kV using a calibrated LeCroy HDO 6104 oscilloscope (or equivalent 1 MΩ) input impedance storage oscilloscope) are recorded through the 500-pF capacitor, 500-Ω resistor, and a 1-Ω Current Viewing Resistor (CVR). The certified value of the DUT's 25 kV output is calculated using Ohms Law and the certified system resistance and capacitance described in this procedure. Read this document in its entirety before proceeding with the calibration.

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Top Ten Blendstocks Derived From Biomass For Turbocharged Spark Ignition Engines

Davis, Ryan W.; Monroe, Eric; George, Anthe

More efficient engines enabled by better fuels derived from biomass could increase the fuel economy of the light duty (LD) fleet by 10% over current technology and planned developments. This report identifies top LD boosted spark ignition (BSI) biofuel candidates for further development and commercialization identified using a fuel property basis. The BSI merit function was used to evaluate the performance of candidate bio-blendstocks in improving engine efficiency. This report is aimed at biofuel researchers looking to better understand the efficiency implications of biofuels under development, as well as engine researchers who are interested in future biofuels with properties that enable more efficient engine design and operation.

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Fire-Induced Pressure Response and Failure Characterization of PCV/SCV/3013 Containers - Phase 1

Mendoza, Hector; Gill, Walter; Sprankle, Ray; Shefferman, Alex; Figueroa Faria, Victor G.; Sanborn, Scott E.

This report discusses the test series performed at Sandia National Laboratories (SNL) to test the response of Primary Containment Vessels (PCVs) under a hypothetical fire scenario. The PCV is the innermost container in a 9975 shipping package (NRC, 2014). This test series was the first of three phases aiming to characterize the PCV/SCV/3013 system, and it will be referred to as Phase 1. The purpose of these tests was to characterize the response of the PCV wall when filled with a bounding payload and exposed to an ASTM-E1529 (ASTM, 2014) standard fire environment. In particular, the goal was to test a working hypothesis for these PCVs: that, during a scenario where the PCV is exposed to an ASTM-E1529 standard fire environment, the accumulated internal pressure (resulting from the expansion of gases and vaporization of moisture/plastics during heat exposure) relieves through the O-ring segment of the PCV before PCV wall failure (rupture). Bounding internal and external conditions were purposefully established for this Phase 1 testing in order to maximize pressurization in the container. Specifically, this Phase 1 test series is designed to determine the worst case thermal stress conditions by exposing five SRNS PCVs with identical payloads to the severe ASTM-E1529 fire conditions in five different configurations with increasing potential to result in a release of the internal contents (i.e. failure). All five tests were successfully executed, and the failure modes were characterized for each test. This report discusses the details of the five tests performed in this phase, their outcomes, and their implications.

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Multigroup Neutron Cross Section Generation for the SCEPTRE Code

Bruss, Donald E.; Sanchez, Lawrence

Multigroup neutron cross sections were generated for the deterministic radiation transport code SCEPTRE. ENDF/B-VII.1 nuclear data files were downloaded from Los Alamos National Laboratory (LANL), processed with the LANL cross-section preparation code NJOY-2012, and post-processed to produce a SCEPTRE-formatted cross section file. A simple radiation transport problem was used to compare results calculated with MCNP, a continuous-energy radiation transport code from LANL, to results calculated with SCEPTRE using the NJOY-2012-produced multigroup cross sections. This problem was used to debug the python scripts used to post-process the NJOY-2012 output and to assess the accuracy of the multigroup cross sections. These comparisons demonstrate that the multigroup cross sections generated in this work are accurate for most elements but yielded inaccurate results for several common transition metals. This discrepancy appears to result from poor treatment of the resolved resonance region of the continuous-energy cross sections. Further work is recommended to investigate alternative methods to treat these resonances with NJOY-2012.

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Bacterial communities protect the alga Microchloropsis salina from grazing by the rotifer Brachionus plicatilis

Algal Research

Lane, Todd; Fisher, Carolyn L.; Ward, Christopher S.; Lane, Pamela; Kimbrel, Jeffrey A.; Sale, Kenneth L.; Stuart, Rhona K.; Mayali, Xavier

Open algal ponds are likely to succumb to unpredictable, devastating crashes by one or several deleterious species. Developing methodology to mitigate or prevent pond crashes will increase algal biomass production, drive down costs for algae farmers, and reduce the risk involved with algae cultivation, making it more favorable for investment by entrepreneurs and biotechnology companies. Here, we show that specific algal-bacterial co-cultures grown with the green alga Microchloropsis salina prevented grazing by the marine rotifer, Brachionus plicatilis. We obtained seven algal-bacterial co-cultures from crashed rotifer cultures, maintained them in co-culture with Microchloropsis salina, and used a microalgal survival assay to determine that algae present in each co-culture were protected from rotifer grazing and culture crash. After months of routinely diluting and maintaining these seven algal-bacterial co-cultures, we repeated the assay and found the opposite result: none of the seven bacterial communities protected the microalgae from rotifer grazing. We performed 16S rRNA gene amplicon sequencing on the protective and nonprotective co-culture samples and identified substantial differences in the makeup of the bacterial communities. Protective bacterial communities consisted primarily of Alphaproteobacteria (Rhodobacteraceae) and Gammaproteobacteria (Marinobacter, Pseudomonas, Methylophaga) while nonprotective bacterial communities were less diverse and missing many putatively crucial members. We compared the seven protective communities with the seven nonprotective communities and we correlated specific bacterial amplicon sequence variants with algal protection. With these data, our future work will aim to define and develop an engineered-microbiome that can stabilize industrial Microchloropsis salina cultures by protecting against grazer-induced pond crashes.

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Icarus Relaxation Oscillator and Time Delay Temperature Testing

Claus, Liam; Boone, Alexis A.

Using the Thermotron S-series environmental chamber and the Sandia National Laboratories' Rev D board, four Icarus sensors were characterized from -20° to 90° The relaxation oscillators and the delay time between the trigger generated by the Stanford Research Systems DG535 delay generator and HST_AWO_EDGE were tested. Icarus sensors IV2-04G04, IV2-09G08, IV2-05-3AG04, and I-11G16 were used. These parts vary in lot number, wafer number, die number, and IV2-09G08 has a copper lid.

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Investigating the effect of oxy-fuel combustion and light coal volatiles interaction: A mass spectrometric study

Combustion and Flame

Hansen, Nils; Baroncelli, Martina; Felsmann, Daniel; Pitsch, Heinz

Given the multi-physical nature of coal combustion, the development and validation of detailed chemical models reproducing coal volatiles combustion under oxy-fuel conditions is a crucial step towards the advancement of predictive full-scale simulations. During the devolatilization process, a large variety of gases is released and undergoes secondary pyrolysis and oxidation reactions. Therefore, the ability to capture their interactions is a prerequisite for each chemical model used in its detailed or reduced form to simulate these processes. In this work, a high-resolution time-of-flight molecular-beam mass spectrometer was employed to enable fast and simultaneous detection of stable and unstable species in counterflow flames of typical light volatiles. Following an approach of increasing complexity, carbon dioxide and methane were progressively added to an argon diluted acetylene base flame. For the three flames investigated here, results showed a significant increase in the concentration of C2 and C3 hydrocarbons and oxygenated compounds caused by methane addition to the acetylene flame. By hindering the production of the butadienyl radical, the addition of methane induces the reduction of benzene which triggers the decrease of aromatic species. Conversely, CO2 addition did not have significant effects on intermediates. To guide and interpret the measurements, numerical simulations with two existing chemical models were performed and the results were found to be consistent with the experimental data for small hydrocarbons. Some discrepancies were found between the two model predictions and between simulations and experiments for C4 and C5 species. Additionally, numerical simulations were found to overestimate the role of the methyl radical in aromatics formation.

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On the thermal stability and grain boundary segregation in nanocrystalline PtAu alloys

Materialia

Lu, Ping

Grain boundary (GB) solute segregation has been proposed as a new mechanism to stabilize nanocrystalline (NC) metals. In this study, we investigate the thermal stability and GB solute segregation in a noble metal alloy system (Pt–Au). Thermal stability of the Pt.90Au.10 alloy system was evaluated by annealing a thin film (∼20 nm in thickness) at 500 °C and 700 °C as well as a thick film (∼2 µm in thickness) at a temperature range from 200 °C to 700 °C. The remarkable stability of the Pt.90Au.10 alloy system was demonstrated by comparing its thermal stability to that of pure Pt films processed under identical conditions. Although presence of voids in the GBs may contribute to thermal stability, the enhanced thermal stability of the Pt.90Au.10 alloy is mainly attributed to preferential Au segregation to GBs in the alloy film, which is revealed by aberration-corrected scanning transmission electron microscopy. Our results show that Au segregation to GBs is heterogeneous, with variation in solute content between different GBs as well as non-uniformity along individual GBs. The heterogeneity is dependent on the annealing temperature and is less pronounced at a higher processing temperatures (e.g., 700 °C). By using the noble Pt–Au system, which avoids oxidation and impurities, this study validates the mechanism of GB solute segregation and provides further understanding of the thermodynamics and kinetics underlying NC stabilization.

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On Gas Ingression of Hermetic Packages

IEEE Transactions on Components, Packaging and Manufacturing Technology

Fang, Lu; Menk, Lyle

In this paper, a closed-form mathematic equation that governs gas ingression of hermetic packages is derived from first principles and applied to moist air and water vapor ingression conditions. The equation models internal gas partial pressure change as a function of time, external conditions, and package characteristics. The equation provides the theoretical basis for direct comparisons of ingression behaviors of different gases into hermetic packages. Comparing the rates of internal air pressure increase due to air ingression and water vapor partial pressure buildup due to water vapor ingression, the authors theorize that vacuum decay may present a greater challenge to the performance of microelectromechanical systems (MEMS) devices within hermetic packages than that of water vapor content induced corrosion failures. This paper also examines gas ingression of hermetic enclosures with multiple layers of seals.

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ISRM Suggested Method: Determining Deformation and Failure Characteristics of Rocks Subjected to True Triaxial Compression

Rock Mechanics and Rock Engineering

Feng, Xia T.; Haimson, Bezalel; Li, Xiaochun; Chang, Chandong; Ma, Xiaodong; Zhang, Xiwei; Ingraham, Mathew; Suzuki, Kenichiro

The purpose of this ISRM Suggested Method is to introduce a guideline on determining deformation and failure characteristics of rocks subjected to true triaxial compression on different stress path. The true triaxial testing apparatus was reviewed by means of the function and engineering application. Some key techniques, such as stress and strain measurements, and reduction of end effect between specimen and metal platens, preventing metal platens interference, were stated and suggested in detail. Methodology of specimen processing, specimen shape, and testing procedure are characterized. There is an explanation of the experimental data processing on stress–strain curves, strength, and fracture mode.

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Eigensensitivity analysis of subgrid-scale stresses in large-eddy simulation of a turbulent axisymmetric jet

International Journal of Heat and Fluid Flow

Jofre, Lluis; Domino, Stefan P.; Iaccarino, Gianluca

The study of complex turbulent flows by means of large-eddy simulation approaches has become increasingly popular in many scientific and engineering applications. The underlying filtering operation of the approach enables to significantly reduce the spatial and temporal resolution requirements by means of representing only large-scale motions. However, the small-scale stresses and their effects on the resolved flow field are not negligible, and therefore require additional modeling. As a consequence, the assumptions made in the closure formulations become potential sources of model-form uncertainty that can impact the quantities of interest. The objective of this work, thus, is to perform a model-form sensitivity analysis in large-eddy simulations of an axisymmetric turbulent jet following an eigenspace-based strategy recently proposed. The approach relies on introducing perturbations to the decomposed subgrid-scale stress tensor within a range of physically plausible values. These correspond to discrepancy in magnitude (trace), anisotropy (eigenvalues)and orientation (eigenvectors)of the normalized, small-scale stresses with respect to a given tensor state, such that propagation of their effects can be assessed. The generality of the framework with respect to the six degrees of freedom of the small-scale stress tensor makes it also suitable for its application within data-driven techniques for improved subgrid-scale modeling.

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Using Floating-Gate Memory to Train Ideal Accuracy Neural Networks

IEEE Journal on Exploratory Solid-State Computational Devices and Circuits

Agarwal, Sapan; Garland, Diana; Niroula, John; Jacobs-Gedrim, Robin B.; Hsia, Alex; Van Heukelom, Michael S.; Fuller, Elliot; Draper, Bruce; Marinella, Matthew J.

Floating-gate silicon-oxygen-nitrogen-oxygen-silicon (SONOS) transistors can be used to train neural networks to ideal accuracies that match those of floating-point digital weights on the MNIST handwritten digit data set when using multiple devices to represent a weight or within 1% of ideal accuracy when using a single device. This is enabled by operating devices in the subthreshold regime, where they exhibit symmetric write nonlinearities. A neural training accelerator core based on SONOS with a single device per weight would increase energy efficiency by $120\times $, operate $2.1\times $ faster, and require $5\times $ lower area than an optimized SRAM-based ASIC.

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Titanium and/or Aluminum Sleeve Experiments in Fully-Reflected Water-Moderated U(4.31)O2 Fuel Rod Lattices with 2.8 cm Pitch

Bays, Nathan R.

The US Department of Energy Nuclear Energy Research Initiative (NERI) funded the Bumup Credit Critical Experiment (BUCCX) at Sandia National Laboratories. The BUCCX was designed to investigate the effect of fission product materials on critical systems. The BUCCX assembly is a water-moderated and -reflected array of Zircaloy-clad triangular-pitched U(4.31)02 fuel elements. The original BUCCX experiments with rhodium are evaluated in LEU-COMP-THERM-079. In the experiments here, sets of up to 60 experiment titanium and aluminum sleeves with nominal outside diameter of 1 in (2.54 cm), wall thickness of 0.035 in (0.0889 cm), and length of 19.60 (49.784 cm) were fabricated. The sleeves are approximately the same length as the fueled section of the fuel elements and have an inner diameter that is 0.421 in (1.0693 cm) larger than the fuel elements. This allows for each sleeve to be centered around a fuel element between the grid plates within the array. Configurations differ by the number and location of sleeves. The seventeen BUCCX critical experiments reported here compare the effects of the titanium and aluminum sleeves on nearly critical fuel assembly arrays.

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A MUSCL-SCNI approach for meshfree modeling of shock waves in fluids

Computational Particle Mechanics

Tupek, Michael R.; Huang, Tsung-Hui; Chen, Jiun-Shyan; Wei, Haoyan; Roth, Michael J.; Bishop, Joseph E.; Fang, H.E.

Here, a stable and nodally integrated meshfree formulation for modeling shock waves in fluids is developed. The reproducing kernel approximation is employed to discretize the conservation equations for compressible flow, and a flux vector splitting approach is applied to allow proper numerical treatments for the advection and pressure parts, respectively, based on the characteristics of each flux term. To capture the essential shock physics in fluids, including the Rankine–Hugoniot jump conditions and the entropy condition, local Riemann enrichment is introduced under the stabilized conforming nodal integration (SCNI) framework. Meanwhile, numerical instabilities associated with the advection flux are eliminated by adopting a modified upwind scheme. To further enhance accuracy, a MUSCL-type method is introduced in conjunction with an oscillation limiter to avoid Gibbs phenomenon and ensure monotonic piecewise linear reconstruction in the smooth region. The present meshfree formulation is free from tunable artificial parameters and is capable of capturing shock and rarefaction waves without over/undershoots. Finally, several numerical examples are analyzed to demonstrate the effectiveness of the proposed MUSCL-SCNI approach in meshfree modeling of complex shock phenomena, including shock diffraction, shock–vortex interaction, and high energy explosion processes.

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Ultra-scalable Multifunctional Nanoengineered Cu and Al surfaces for anti-biofouling applications

ACS Applied Bio Materials

Reed, Julian H.; Gonsalves, Andrew E.; Kustas, Jessica; Oh, Junho; Cha, Hyeongyun; Dana, Catherine E.; Toc, Marco A.; Hong, Sungmin; Hoffman, Jacob B.; Andrade, Juan E.; Jo, Kyoo D.; Alleyne, Marianne; Miljkovic, Nenad; Cropek, Donald M.

Biofouling disrupts surface functionality and integrity of engineered substrates. A variety of natural materials such as plant leaves and insect wings have evolved sophisticated physical mechanisms capable of preventing biofouling. Over the past decade, several reports have pinpointed nanoscale surface topography as an important regulator of the surface adhesion and growth of bacteria. Although artificial nanoengineered features have been used to create bactericidal materials that kill adhered bacteria, functional surfaces capable of synergistically providing anti-biofouling and bactericidal properties remain to be developed. Furthermore,fundamental questions pertaining to the need for intrinsic hydrophobicity to achieve bactericidal performance or the crucial role played by structure length scale (nano vs. micro), remain to be answered. Here, we demonstrate highly scalable, cost effective, and efficient nanoengineered multifunctional surfaces that possess both anti-biofouling and bactericidal properties on industrially relevant copper (Cu) and aluminum (A1) substrates. We characterize biofouling and bactericidal performance using a combination of scanning electron microscopy (SEM), atomic force microscopy (AFM), live-dead bacterial staining and imaging, as well as solution phase measurements of bacterial viability. SEM results showed that nanostructures created on both Cuand Al were capable of physical deformation of adhered E. coli. Bacterial viability measurements on both Cu and Al indicated a complex interaction between the anti-biofouling and bactericidal nature of these materials and their surface topography, chemistry, and structure. We found that nano-length structures, as compared to micro-length, provide improved bactericidal properties,and that increased hydrophobicity greatly decreased the of adhered bacteria while also modestly increasing the surfaces killing capacity. This study provides additional insights into design guidelines for materials that are not only bactericidal, but also anti-biofouling, using a simple and economic method.

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Genome sequences of six cluster n mycobacteriophages, kevin1, nenae, parmesanjohn, shrimpfriedegg, smurph, and spongebob, isolated on mycobacterium smegmatis mc2155

Microbiology Resource Announcements

Caratenuto, Russell A.; Ciabattoni, Grace O.; Desgranges, Nicolas J.; Drost, Cassidy L.; Gao, Longhui; Gipson, Brianna; Kahler, Nicholas C.; Kirven, Nicole A.; Melehani, Julia C.; Patel, Krishna; Rokes, Alecia B.; Seth, Ryan A.; West, Matthew C.; Alhout, Alexa A.; Akoto, Francis F.; Capogna, Nicole; Cudkevich, Netta; Graham, Lee H.; Grapel, Matthew S.; Haleem, Maaz M.; Korenberg, Jamie B.; Lichak, Brooke P.; Mckinley, Lauren N.; Mendello, Kourtney R.; Murphy, Caitlin E.; Pyfer, Lauren M.; Ramirez, Wascar A.; Reisner, Julia R.; Swope, Rachel H.; Thoonkuzhy, Matthew J.; Vargas, Lauren A.; Veliz, Croldy A.; Volpe, Katherine R.; Zhang, Kevin D.; Faltine-Gonzalez, Dylan Z.; Zuilkoski, Caitlin M.; Mageeney, Catherine M.; Mohammed, Hamidu T.; Kenna, Margaret A.; Ware, Vassie C.

The annotation of six cluster N Mycobacterium smegmatis phages (Kevin1, Nenae, Parmesanjohn, ShrimpFriedEgg, Smurph, and SpongeBob) reveals regions of genomic diversity, particularly within the central region of the genome. The genome of Kevin1 includes two orphams (genes with no similarity to other phage genes), with one predicted to encode an AAA-ATPase.

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Phase Identification of the Layered Perovskite CexSr2–xMnO4 and Application for Solar Thermochemical Water Splitting

Inorganic Chemistry

Barcellos, Debora R.; Coury, Francisco G.; Emery, Antoine; Sanders, Clay M.; Tong, Jianhua; Mcdaniel, Anthony H.; Wolverton, Christopher; Bays, Nathan R.; Hayre, Ryan'

Ruddlesden–Popper (layered perovskite) phases are attracting significant interest because of their unique potential for many applications requiring mixed ionic and electronic conductivity. Here we report a new, previously undiscovered layered perovskite of composition, CexSr2–xMnO4 (x = 0.1, 0.2, and 0.3). Furthermore, we demonstrate that this new system is suitable for solar thermochemical hydrogen production (STCH). Synchrotron radiation X-ray diffraction and transmission electron microscopy are performed to characterize this new system. Density functional theory calculations of phase stability and oxygen vacancy formation energy (1.76, 2.24, and 2.66 eV/O atom, respectively with increasing Ce content) reinforce the potential of this phase for STCH application. Experimental hydrogen production results show that this materials system produces 2–3 times more hydrogen than the benchmark STCH oxide ceria at a reduction temperature of 1400 °C and an oxidation temperature of 1000 °C.

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“Defense by other means”: future evolution(s) of cooperative threat reduction

Nonproliferation Review

Williams, Adam D.; Wilson, Rodney K.

This article discusses likely future contexts of, and options for, global threat-reduction activities to support nonproliferation goals over the next five to ten years. Threat-reduction activities span a continuum from unilateral actions that the United States might take with little cooperation and transparency at one end to cooperative actions associated with negotiated treaties and agreements at the other. This study focuses on cooperative approaches embodied in the Cooperative Threat Reduction (CTR) program, which has been the most visible program reducing the threats posed by weapons of mass destruction for over two decades. Here, we argue that CTR’s evolution can be described in terms of the relationship between the desired US influence on outcomes, the ability to generate a common threat definition, and appetite for collaboration on threat reduction. To that end, this article provides an introduction and overview of CTR initiatives over its twenty-seven-year history and a review of relevant legislation and trends. After introducing and describing the CTR Possible Futures Framework, this article offers five possible options for—and discusses the implications of—CTR’s future evolution.

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Data-driven material models for atomistic simulation

Physical Review B

Wood, M.A.; Thompson, Aidan P.; Cusentino, Mary A.; Wirth, B.D.

The central approximation made in classical molecular dynamics simulation of materials is the interatomic potential used to calculate the forces on the atoms. Great effort and ingenuity is required to construct viable functional forms and find accurate parametrizations for potentials using traditional approaches. Machine learning has emerged as an effective alternative approach to develop accurate and robust interatomic potentials. Starting with a very general model form, the potential is learned directly from a database of electronic structure calculations and therefore can be viewed as a multiscale link between quantum and classical atomistic simulations. Risk of inaccurate extrapolation exists outside the narrow range of time and length scales where the two methods can be directly compared. In this work, we use the spectral neighbor analysis potential (SNAP) and show how a fit can be produced with minimal interpolation errors which is also robust in extrapolating beyond training. To demonstrate the method, we have developed a tungsten-beryllium potential suitable for the full range of binary compositions. Subsequently, large-scale molecular dynamics simulations were performed of high energy Be atom implantation onto the (001) surface of solid tungsten. The machine learned W-Be potential generates a population of implantation structures consistent with quantum calculations of defect formation energies. A very shallow (<2nm) average Be implantation depth is predicted which may explain ITER diverter degradation in the presence of beryllium.

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Highly Effective GeNi Alloy Contact Diffusion Barrier for BiSbTe Long-Term Thermal Exposure

ACS Omega

Song, Eun J.; Swartzentruber, Brian; Koripella, Chowdary R.; Martinez, Julio A.

A GeNi alloy diffusion barrier for contacts on bismuth antimony telluride is proposed. Multiple gold contact diffusion barriers were tested at different thermal aging conditions in air and reducing atmospheres. Among all diffusion barriers, the GeNi alloy barrier shows the best performance for bulk samples with no substantial degradation of the contact resistance, no contact color change, and no change of thermoelectric properties. We observed DAu-GeNi = (9.8 ± 2.7) × 10-20 m2/s within the GeNi alloy barrier, which is 4 times smaller than DAu-BiSbTe. The presence of the initial Ge layer also proves to be effective in reducing nickel diffusion yielding DNi-BiSbTe = (8.57 ± 0.49) × 10-19 m2/s. During GeNi alloy formation, Ge diffusion into BiSbTe produces GeTe, which apparently blocks the van der Waals gaps eliminating Au and Ni fast diffusion pathways. Thermal aging of BiSbTe nanowires shows that Au and Ni diffusion degrades the thermoelectric power factor, whereas the GeNi alloy barrier sample is mostly preserved. The GeNi alloy barrier is a reliable solution to long-term thermal applications of BiTe-based materials.

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The C5 chemistry preceding the formation of polycyclic aromatic hydrocarbons in a premixed 1-pentene flame

Combustion and Flame

Hansen, Nils; Ruwe, Lena; Cai, Liming; Moshammer, Kai; Pitsch, Heinz

We report the formation of small polycyclic aromatic hydrocarbons (PAHs) and their precursors can be strongly affected by reactions of C5 species. For improving existing combustion mechanisms for small PAH formation, it is therefore valuable to understand the fuel-specific chemistry of C5 fuels. To this end, we provide quantitative isomer-resolved species profiles measured in a laminar premixed (Φ = 1.8) low-pressure (4 kPa) flame of 1-pentene with photoionization molecular-beam mass spectrometry (PI-MBMS) using tunable synchrotron vacuum-ultraviolet (VUV) radiation. These experimental results are accompanied with numerical simulations, starting from models from the literature by Wang et al. [JetSurF version 2.0 (2010)] and Healy et al. [Energy Fuels 24 (2010) 1521–1528] that were developed for different fuels, but which include 1-pentene as an intermediate, and by Narayanaswamy et al. [Combust. Flame 157 (2010) 1879–1898] focusing on the small PAH chemistry. Taking observed discrepancies between experimental results and simulations into consideration, a mechanism for C5 chemistry was newly developed including PAH formation pathways, and its performance analyzed in detail. Special emphasis was placed on the initial fuel consumption of 1-pentene as well as on formation pathways of small aromatics. The mechanisms show differences regarding fuel decomposition and hydrocarbon growth reactions. These contribute to noticeable differences between the simulations with different models on one hand, and deviations between model predictions and experimental results on the other. While the new model presents overall satisfactory capabilities to predict the mole fraction profiles of common combustion intermediates, the predictive capability of the literature models was not fully satisfying for some intermediate species, including C4H6, C7H8, and C10H8. Lastly, the results indicate that the fuel-specific C5 reaction routes as well as the mechanism for small PAH formation need further investigation.

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Assessment of HRA method predictions against operating crew performance: Part II: Overall simulator data, HRA method predictions, and intra-method comparisons

Reliability Engineering and System Safety

Liao, Huafei

This is the third in a series of four papers documenting two large-scale human reliability analysis (HRA) empirical studies – the International HRA Empirical Study and the US HRA Empirical Study. Here, the goal of the two studies was to develop an empirically-based understanding of the performance, strengths, and weaknesses of HRA methods by comparing HRA method predictions against actual operator performance in simulated accident scenarios on nuclear power plant (NPP) simulators. However, since in most cases only a single HRA team applied a given method in the International study, it was often difficult to separate analyst effects from variability in results related to the methods themselves. Since at least two HRA teams used each of the HRA methods in the US Study, intra-method comparisons were performed to identify method strengths and weaknesses independent of analyst specific effects where possible. This paper first summarizes the intra-method comparison results from the U.S. Study. Then, it discusses the reasons for the observed HRA predictive differences and the underlying methodological and guidance limitations that permitted the differences to arise. In the fourth paper, this information is combined wit h the results of the comparisons of method predictions to the actual crew data, from both the International and U.S. Studies, to develop the final conclusions about overall strengths and weaknesses of HRA methods.

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Assessment of HRA method predictions against operating crew performance: Part II: Scenario, description, human failure events, overall simulator data, and HRA method predictions

Reliability Engineering and System Safety

Liao, Huafei

This is the second in a series of four papers documenting two large-scale human reliability analysis (HRA) empirical studies – the International HRA Empirical Study and the US HRA Empirical Study. The goal of the two studies was to develop an empirically-based understanding of the performance, strengths, and weaknesses of HRA methods by comparing HRA method predictions against actual operator performance in simulated accident scenarios on nuclear power plant (NPP) simulators. The first paper (Part I), provided background in formation for the studies and an overview of their design and methodology. This paper first briefly describes the scenarios simulated in the studies and the associated human failure events (HFEs) addressed in the HRA analyses. Then, it discusses the overall simulator data followed by observations on the operating crew performance in the scenario simulations. Lastly, it presents some quantitative comparisons of the HRA methods’ predictions with the simulator data.

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Attenuation of waves in a viscoelastic peridynamic medium

Mathematics and Mechanics of Solids

Silling, Stewart

The effect of spatial nonlocality on the decay of waves in a dissipative material is investigated. The propagation and decay of waves in a one-dimensional, viscoelastic peridynamic medium is analyzed. Both the elastic and damping terms in the material model are nonlocal. Waves produced by a source with constant amplitude applied at one end of a semi-infinite bar decay exponentially with distance from the source. The model predicts a cutoff frequency that is influenced by the nonlocal parameters. A method for computing the attenuation coefficient explicitly as a function of material properties and source frequency is presented. Here, the theoretical results are compared with direct numerical simulations in the time domain. The relationship between the attenuation coefficient and the group velocity is derived. It is shown that in the limit of long waves (or small peridynamic horizon), Stokes’ law of sound attenuation is recovered.

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Royal Medical Services Training Centre Assessment

Hendrickson, Warren J.; Walser, Alex C.; Burnett, Louann C.

The following document represents the joint SNL/IBCTR and HDR Team's Training Centre needs assessment for the Jordan Royal Medical Service (RMS) at the King Hussein Medical Centre (KHMC) and should be used as follows: 1) To present options for future facility improvements. 2) In support of obtaining additional funding for the facility and finalization of a plan for equipment, human resource development, and technical assistance. 3) as a platform to guide future considerations to provide training centre facilities in support of the Biorisk Management (BRM) training and other training to compliment RMS capabilities.

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Extension of the neutron scatter camera sensitivity to the ~10–200 MeV neutron energy range

Review of Scientific Instruments

Cabrera-Palmer, B.; Brubaker, Erik M.; Gerling, Mark; Reyna, David R.

The Neutron Scatter Camera (NSC) is a neutron spectrometer and imager that has been developed and improved by the Sandia National Laboratories for several years. Built for special nuclear material searches, the instrument was configured by the design to reconstruct neutron sources within the fission energy range 1–10 MeV. In this work, we present modifications that attempt to extend the NSC sensitivity to neutron energies in the range ~10–200 MeV and discuss the corresponding consequences for the event processing. We present simulation results that manifest important aspects of the NSC response to those intermediate energy neutrons. The simulation results also evidence that the instrument’s spectroscopic capabilities severely deteriorate at those energies, mainly due to the uncertainties in measuring energy, time, and distance between the two neutron scattering interactions. Furthermore, this work is motivated by the need to characterize neutron fluxes at particle accelerators as they may represent important backgrounds for neutrino experiments.

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Wafer-Scale TaOx Device Variability and Implications for Neuromorphic Computing Applications

IEEE International Reliability Physics Symposium Proceedings

Bennett, Christopher H.; Garland, Diana; Jacobs-Gedrim, Robin B.; Agarwal, Sapan; Marinella, Matthew

Scaling arrays of non-volatile memory devices from academic demonstrations to reliable, manufacturable systems requires a better understanding of variability at array and wafer-scale levels. CrossSim models the accuracy of neural networks implemented on an analog resistive memory accelerator using the cycle-to-cycle variability of a single device. In this work, we extend this modeling tool to account for device-to-device variation in a realistic way, and evaluate the impact of this reliability issue in the context of neuromorphic online learning tasks.

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Interaction position, time, and energy resolution in organic scintillator bars with dual-ended readout

Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment

Sweany, Melinda D.; Brown, J.; Brubaker, Erik M.; Dorrill, R.; Druetzler, A.; Galindo-Tellez, A.; Kaneshige, N.; Learned, J.; Nishimura, K.; Wonseok, Bae

We report on the position, timing, and energy resolution of a range of plastic scintillator bars and reflector treatments using dual-ended silicon photomultiplier readout. These measurements are motivated by the upcoming construction of an optically segmented single-volume neutron scatter camera, in which neutron elastic scattering off of hydrogen is used to kinematically reconstruct the location and energy of a neutron-emitting source. For this application, interaction position resolutions of about 10 mm and timing resolutions of about 1 ns are necessary to achieve the desired efficiency for fission-energy neutrons. The results presented here indicate that this is achievable with an array of 5×5×190mm 3 bars of EJ-204 scintillator wrapped in Teflon tape, read out with SensL's J-series 6×6mm 2 silicon photomultipliers. With two independent setups, we also explore the systematic variability of the position resolution, and show that, in general, using the difference in the pulse arrival time at the two ends is less susceptible to systematic variation than using the log ratio of the charge amplitude of the two ends. Finally, we measure a bias in the absolute time of interactions as a function of position along the bar: the measured interaction time for events at the center of the bar is ∼100 ps later than interactions near the SiPM.

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Explicit time integration of the stiff chemical Langevin equations using computational singular perturbation

Journal of Chemical Physics

Han, Xiaoying; Valorani, Mauro; Najm, Habib N.

A stable explicit time-scale splitting algorithm for stiff chemical Langevin equations (CLEs) is developed, based on the concept of computational singular perturbation. The drift term of the CLE is projected onto basis vectors that span the fast and slow subdomains. The corresponding fast modes exhaust quickly, in the mean sense, and the system state then evolves, with a mean drift controlled by slow modes, on a random manifold. The drift-driven time evolution of the state due to fast exhausted modes is modeled algebraically as an exponential decay process, while that due to slow drift modes and diffusional processes is integrated explicitly. This allows time integration step sizes much larger than those required by typical explicit numerical methods for stiff stochastic differential equations. The algorithm is motivated and discussed, and extensive numerical experiments are conducted to illustrate its accuracy and stability with a number of model systems.

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Kinetic simulation of a low-pressure helium discharge with comparison to experimental measurements

Plasma Sources Science and Technology

Fierro, Andrew S.; Barnat, Edward; Moore, Christopher H.; Hopkins, Matthew M.; Clem, Paul

Modern computational validation efforts rely on comparison of known experimental quantities such as current, voltage, particle densities, and other plasma properties with the same values determined through simulation. A discrete photon approach for radiation transport was recently incorporated into a particle-in-cell/direct simulation Monte Carlo code. As a result, spatially and temporally resolved synthetic spectra may be generated even for non-equilibrium plasmas. The generation of this synthetic spectra lends itself to potentially new validation opportunities. In this work, initial comparisons of synthetic spectra are made with experimentally gathered optical emission spectroscopy. A custom test apparatus was constructed that contains a 0.5 cm gap distance parallel plane discharge in ultra high purity helium gas (99.9999%) at a pressure of 75 Torr. Plasma generation is initiated with the application of a fast rise-time, 100 ns full-width half maximum, 2.0 kV voltage pulse. Transient electrical diagnostics are captured along with time-resolved emission spectra. A one-dimensional simulation is run under the same conditions and compared against the experiment to determine if sufficient physics are included to model the discharge. To sync the current measurements from experiment and simulation, significant effort was undertaken to understand the kinetic scheme required to reproduce the observed features. Additionally, the role of the helium molecule excimer emission and atomic helium resonance emission on photocurrent from the cathode are studied to understand which effect dominates photo-feedback processes. Results indicate that during discharge development, atomic helium resonance emission dominates the photo-flux at the cathode even though it is strongly self-absorbed. A comparison between the experiment and simulation demonstrates that the simulation reproduces observed features in the experimental discharge current waveform. Furthermore, the synthesized spectra from the kinetic method produces more favorable agreement with the experimental data than a simple local thermodynamic equilibrium calculation and is a first step towards using spectra generated from a kinetic method in validation procedures. The results of this study produced a detailed compilation of important helium plasma chemistry reactions for simulating transient helium plasma discharges.

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Stenotrophomonas maltophilia differential gene expression in synthetic cystic fibrosis sputum reveals shared and cystic fibrosis strain-specific responses to the sputum environment

Journal of Bacteriology

Willsey, Graham G.; Eckstrom, Korin; Labauve, Annette E.; Hinkel, Lauren A.; Schutz, Kristin; Meagher, Robert J.; Lipuma, John J.; Wargo, Matthew J.

Stenotrophomonas maltophilia is a Gram-negative opportunistic pathogen that can infect the lungs of people with cystic fibrosis (CF). The highly viscous mucus in the CF lung, expectorated as sputum, serves as the primary nutrient source for microbes colonizing this site and induces virulence-associated phenotypes and gene expression in several CF pathogens. Here, we characterized the transcriptional responses of three S. maltophilia strains during exposure to synthetic CF sputum media (SCFM2) to gain insight into how this organism interacts with the host in the CF lung. These efforts led to the identification of 881 transcripts differentially expressed by all three strains, many of which reflect the metabolic pathways used by S. maltophilia in sputum, as well as altered stress responses. The latter correlated with increased resistance to peroxide exposure after pre-growth in SCFM2 for two of the strains. We also compared the SCFM2 transcriptomes of two S. maltophilia CF isolates to that of the acute infection strain, S. maltophilia K279a, allowing us to identify CF isolate-specific signatures in differential gene expression. Expression of genes from the accessory genomes was also differentially altered in response to SCFM2. Finally, a number of biofilm-associated genes were differentially induced in SCFM2, particularly in K279a, which corresponded to increased aggregation and biofilm formation in this strain relative to both CF strains. Collectively, this work details the response ofS. maltophiliato an environment that mimics important aspects of the CF lung, identifying potential survival strategies and metabolic pathways used byS. maltophiliaduring infections.Importance Stenotrophomonas maltophilia is an important infecting bacterium in the airways of people with cystic fibrosis (CF). However, compared to the other CF pathogens, S. maltophilia has been relatively understudied. The significance of our research is to provide insight into the global transcriptomic changes of S. maltophilia in response to a medium that was designed to mimic important aspects of the CF lung. This work allows us to understand the overall metabolic changes that occur when S. maltophilia encounters the CF lung, and generates a roadmap of candidate genes to test using in vitro and in vivo models of CF.

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Bayesian modeling of inconsistent plastic response due to material variability

Computer Methods in Applied Mechanics and Engineering

Rizzi, Francesco; Khalil, Mohammad; Jones, Reese E.; Templeton, J.A.; Ostien, Jakob T.; Boyce, Brad L.

The advent of fabrication techniques such as additive manufacturing has focused attention on the considerable variability of material response due to defects and other microstructural aspects. This variability motivates the development of an enhanced design methodology that incorporates inherent material variability to provide robust predictions of performance. In this work, we develop plasticity models capable of representing the distribution of mechanical responses observed in experiments using traditional plasticity models of the mean response and recently developed uncertainty quantification (UQ) techniques. To account for material response variability through variations in physical parameters, we adapt a recent Bayesian embedded modeling error calibration technique. We use Bayesian model selection to determine the most plausible of a variety of plasticity models and the optimal embedding of parameter variability. To expedite model selection, we develop an adaptive importance-sampling-based numerical integration scheme to compute the Bayesian model evidence. In conclusion, we demonstrate that the new framework provides predictive realizations that are superior to more traditional ones, and how these UQ techniques can be used in model selection and assessing the quality of calibrated physical parameters.

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Implosion of auto-magnetizing helical liners on the Z facility

Physics of Plasmas

Shipley, Gabriel A.; Awe, Thomas J.; Hutsel, Brian T.; Greenly, John B.; Jennings, Christopher A.; Slutz, Stephen A.

In the first auto-magnetizing liner implosion experiments on the Z Facility, precompressed internal axial fields near 150 T were measured and 7.2-keV radiography indicated a high level of cylindrical uniformity of the imploding liner's inner surface. An auto-magnetizing (AutoMag) liner is made of discrete metallic helical conductors encapsulated in insulating material. Here, the liner generates internal axial magnetic field as a 1–2 MA, 100–200 ns current prepulse flows through the helical conductors. After the prepulse, the fast-rising main current pulse causes the insulating material between the metallic helices to break down ceasing axial field production. After breakdown, the helical liner, nonuniform in both density and electrical conductivity, implodes in 100 ns. In-flight radiography data demonstrate that while the inner wall maintains cylindrical uniformity, multiple new helically oriented structures are self-generated within the outer liner material layers during the implosion; this was not predicted by simulations. Furthermore, liner stagnation was delayed compared to simulation predictions. An analytical implosion model is compared with experimental data and preshot simulations to explore how changes in the premagnetization field strength and drive current affect the liner implosion trajectory. Both the measurement of >100 T internal axial field production and the demonstration of cylindrical uniformity of the imploding liner's inner wall are encouraging for promoting the use of AutoMag liners in future MagLIF experiments.

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An Analytical Bond Order Potential for Mg−H Systems

ChemPhysChem

Zhou, Xiaowang; Stavila, Vitalie; Allendorf, Mark D.; Heo, Tae W.; Wood, Brandon C.; Kang, Shinyoung

Magnesium-based materials provide some of the highest capacities for solid-state hydrogen storage. However, efforts to improve their performance rely on a comprehensive understanding of thermodynamic and kinetic limitations at various stages of (de)hydrogenation. Part of the complexity arises from the fact that unlike interstitial metal hydrides that retain the same crystal structures of the underlying metals, MgH 2 and other magnesium-based hydrides typically undergo dehydrogenation reactions that are coupled to a structural phase transformation. As a first step towards enabling molecular dynamics studies of thermodynamics, kinetics, and (de)hydrogenation mechanisms of Mg-based solid-state hydrogen storage materials with changing crystal structures, we have developed an analytical bond order potential for Mg−H systems. We demonstrate that our potential accurately reproduces property trends of a variety of elemental and compound configurations with different coordinations, including small clusters and bulk lattices. More importantly, we show that our potential captures the relevant (de)hydrogenation chemical reactions 2H (gas)→H 2 (gas) and 2H (gas)+Mg (hcp)→MgH 2 (rutile) within molecular dynamics simulations. This verifies that our potential correctly prescribes the lowest Gibbs free energies to the equilibrium H 2 and MgH 2 phases as compared to other configurations. It also indicates that our molecular dynamics methods can directly reveal atomic processes of (de)hydrogenation of the Mg−H systems.

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Morphology-Dependent Stability of Complex Metal Hydrides and Their Intermediates Using First-Principles Calculations

ChemPhysChem

Allendorf, Mark D.; Kang, Shin Y.; Heo, Tae W.; Wood, Brandon C.

Complex light metal hydrides are promising candidates for efficient, compact solid-state hydrogen storage. (De)hydrogenation of these materials often proceeds via multiple reaction intermediates, the energetics of which determine reversibility and kinetics. At the solid-state reaction front, molecular-level chemistry eventually drives the formation of bulk product phases. Therefore, a better understanding of realistic (de)hydrogenation behavior requires considering possible reaction products along all stages of morphological evolution, from molecular to bulk crystalline. Here, we use first-principles calculations to explore the interplay between intermediate morphology and reaction pathways. Employing representative complex metal hydride systems, we investigate the relative energetics of three distinct morphological stages that can be expressed by intermediates during solid-state reactions: i) dispersed molecules; ii) clustered molecular chains; and iii) condensed-phase crystals. Our results verify that the effective reaction energy landscape strongly depends on the morphological features and associated chemical environment, offering a possible explanation for observed discrepancies between X-ray diffraction and nuclear magnetic resonance measurements. Our theoretical understanding also provides physical and chemical insight into phase nucleation kinetics upon (de)hydrogenation of complex metal hydrides.

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In situ TEM investigation of self-ion irradiation of nanoporous gold

Journal of Materials Science

Briot, Nicolas J.; Kosmidou, Maria; Dingreville, Remi P.M.; Hattar, Khalid; Balk, T.J.

The ability of nanoporous metals to avoid accumulation of damage under ion beam irradiation has been the focus of several studies in recent years. The width of the interconnected ligaments forming the network structure typically is on the order of tens of nanometers. In such confined volumes with high amounts of surface area, the accumulation of damage (defects such as stacking-fault tetrahedra and dislocation loops) can be mitigated via migration and annihilation of these defects at the free surfaces. In this work, in situ characterization of radiation damage in nanoporous gold (np-Au) was performed in the transmission electron microscope. Several samples with varying average ligament size were subjected to gold ion beams having three different energies (10 MeV, 1.7 MeV and 46 keV). The inherent radiation tolerance of np-Au was directly observed in real time, for all ion beam conditions, and the degree of ion-induced damage accumulation in np-Au ligaments is discussed here.

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Iodine detection in Ag-mordenite based sensors: Charge conduction pathway determinations

Microporous and Mesoporous Materials

Nenoff, Tina M.; Small, Leo J.; Krumhansl, James L.; Rademacher, David X.

Detection of radiological iodine gas after nuclear accidents or in nuclear fuel reprocessing is necessary for the safety of human life and the environment. The development of sensors for the detection of iodine benefits from the incorporation of nanoporous materials with high selectivity for I2 from common competing gases in air. Silver mordenite zeolite (Ag-MOR) is widely-used material for capture of gaseous iodine (I2). Herein, thin film zeolite coatings were applied to Pt interdigitated electrodes (IEDs) to fabricate iodine gas sensors with direct electrical readout responses. Correlations between occluded ion, exposure to iodine gas, resultant AgI nanoparticle polymorphs and location in zeolite with resultant impedance spectroscopy (IS) properties are described. Furthermore, IS is leveraged to elucidate the changes in charge conduction pathways as determined by the cation-zeolite film incorporated in the sensor. Silver mordenite reveals a significant change in impedance upon exposure to gaseous I2 at 70 °C, and the magnitude and direction of the response is dependent on whether the Ag+-mordenite is reduced (Ag0) before I2 exposure. An equivalent circuit model is developed to describe the movement of charge along the surface and through the pores of the mordenite grains. Relative changes in the impedance of these conduction pathways are related to the chemical changes from Ag+ or Ag0 to resultant AgI polymorph phase. Together, these results inform design of a compact Ag-mordenite sensor for direct electrical detection of gaseous I2.

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Transport Measurements of Surface Electrons in 200-nm-Deep Helium-Filled Microchannels Above Amorphous Metallic Electrodes

Journal of Low Temperature Physics

Asfaw, A.T.; Kleinbaum, E.I.; Henry, David; Shaner, Eric A.; Lyon, S.A.

We report transport measurements of electrons on helium in a microchannel device where the channels are 200 nm deep and 3μm wide. The channels are fabricated above amorphous metallic Ta 40 W 40 Si 20 , which has surface roughness below 1 nm and minimal variations in work function across the surface due to the absence of polycrystalline grains. We are able to set the electron density in the channels using a ground plane. We estimate a mobility of 300cm2/Vs and electron densities as high as 2.56×109cm-2. We demonstrate control of the transport using a barrier which enables pinch-off at a central microchannel connecting two reservoirs. The conductance through the central microchannel is measured to be 10 nS for an electron density of 1.58×109cm-2. Our work extends transport measurements of surface electrons to thin helium films in microchannel devices above metallic substrates.

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Split-well direct-phonon terahertz quantum cascade lasers

Applied Physics Letters

Albo, Asaf; Flores, Yuri V.; Hu, Qing; Reno, John L.

We present a so-called "split-well direct-phonon" active region design for terahertz quantum cascade lasers (THz-QCLs). Lasers based on this scheme profit from both elimination of high-lying parasitic bound states and resonant-depopulation of the lower laser level. Negative differential resistance is observed at room temperature, which indicates that each module behaves as a clean 3-level system. We further use this design to investigate the impact of temperature on the dephasing time of GaAs/AlGaAs THz-QCLs.

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Automated thermal extraction-desorption gas chromatography mass spectrometry: A multifunctional tool for comprehensive characterization of polymers and their degradation products

Journal of Chromatography A

Celina, Mathew C.; Duemichen, E.; Eisentraut, P.; Braun, U.

The TED-GC–MS analysis is a two-step method. A sample is first decomposed in a thermogravimetric analyzer (TGA) and the gaseous decomposition products are then trapped on a solid-phase adsorber. Subsequently, the solid-phase adsorber is analyzed with thermal desorption gas chromatography mass spectrometry (TDU-GC–MS). This method is ideally suited for the analysis of polymers and their degradation processes. Here, a new entirely automated system is introduced which enables high sample throughput and reproducible automated fractioned collection of decomposition products. The fractionated collection together with low temperatures reduces the risk of contamination, improves instrumental stability and minimizes maintenance efforts. Through variation of the two main parameters (purge gas flow and heating rate) it is shown how the extraction process can be optimized. By measuring the decomposition products of polyethylene it is demonstrated that compounds with masses of up to 434 Da can be detected. This is achieved despite the low temperature (˜40 °C) of the solid-phase adsorber and the low thermal desorption temperature of 200 °C in the TDU unit. It is now shown that automated TED-GC–MS represents a new flexible multi-functional method for comprehensive polymer analyses. Comparable polymer characterization was previously only achievable through a combination of multiple independent analytical methods. This is demonstrated by three examples focused on practical challenges in materials analysis and identification: The first one is the analysis of wood plastic composites for which the decomposition processes of the polymer and the bio polymer (wood) could be clearly distinguished by fractionated collection using sequential adsorbers. Secondly, a fast quantitative application is shown by determining the weight concentrations of an unknown polyolefin blend through comparison with a reference material. Additionally, the determination of microplastic concentrations in environmental samples is becoming an increasingly important analytical necessity. It is demonstrated that with TED-GC–MS calibration curves showing good linearity for the most important precursors for microplastic, even complex matrix materials (suspended particulate matter) can be successfully analyzed.

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Role of humidity in oxidation of ultrathin GaSe

Materials Research Express (Online)

Kowalski, Brian M.; Manz, Noah; Bethke, Donald; Serov, Alexey; Shaner, Eric A.; Kalugin, Nikolai G.

The oxidation mechanisms of exfoliated Gallium Selenide (GaSe) are strongly influenced by humidity. We have observed that the presence of water molecules leads to formation of Ga2O3, SeO2, and Se via sequence of intermediate reactions which include generation of aqueous solution of selenic acid. Raman spectra of GaSe flakes undergoing oxidation in a humidity-controlled environment reveal formation of selenic acid-related species causing Raman scattering signal in the regions around 830 cm-1 and around 1230 cm-1. This observation sheds light on the path of chemical reactions, going via an intermediate stage of formation of gallium hydroxide and selenium oxide-water complexes with further decompositions of these compounds to Ga2O3, SeO2, and amorphous selenium.

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Using Ducted Fuel Injection to Attenuate Soot Formation in a Mixing-Controlled Compression Ignition Engine

SAE International Journal of Engines

Nilsen, Christopher W.; Biles, Drummond E.; Mueller, Charles J.

Ducted fuel injection (DFI) has been proposed as a strategy to enhance the fuel/charge gas mixing within the combustion chamber of a direct-injection mixing-controlled compression ignition engine. The concept involves injecting each fuel spray through a small tube within the combustion chamber to facilitate the creation of a leaner mixture in the autoignition zone, relative to a conventional free-spray configuration (i.e., a fuel spray that is not surrounded by a duct). While previous experiments demonstrated that DFI lowers both soot incandescence and soot mass in a constant-volume combustion vessel with a single-component normal-alkane fuel (n-dodecane), this study provides the first evidence that the technology provides similar benefits in an engine application using a commercial diesel fuel containing ~30 wt% aromatics. The present study investigates the effects on engine-out emissions and efficiency with a two-orifice injector tip for charge gas mixtures containing 16 and 21 mol% oxygen. The result is that DFI is confirmed to be effective at curtailing engine-out soot emissions. It also breaks the tradeoff between emissions of soot and nitrogen oxides (NOx) by simultaneously attenuating soot and NOx with increasing dilution.

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Modeling and experiments of high-quality factor cavity shielding effectiveness

2019 International Applied Computational Electromagnetics Society Symposium in Miami, ACES-Miami 2019

Campione, Salvatore; Warne, Larry K.; Reines, Isak C.; Williams, Jeffery T.; Gutierrez, Roy K.; Coats, Rebecca S.; Basilio, Lorena I.

In this paper, we investigate the coupling from external electromagnetic (EM) fields to the interior EM fields of a high-quality factor cylindrical cavity through a small perturbing slot. We illustrate the shielding effectiveness versus frequency, highlighting bounds on the penetrant power through the slot. Because internal fields may become larger than external ones, we then introduce a small amount of microwave absorbing materials decorating the slot to improve shielding effectiveness considerably, as shown by both simulations and experiments. Although the cylindrical cavity is used for demonstration purposes in this paper, the conclusions presented here can be leveraged for use with more complex cavity structures.

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Exergy surface shaping and thermodynamic flow control of electro-mechanical-thermal systems

International Journal of Energy

Wilson, David G.; Weaver, Wayne W.; Robinett, Rush D.

Our work extends the concepts and tools of Hamiltonian Surface Shaping and Power Flow Control (HS SPFC) for electro-mechanical (EM) systems(i.e., adiabatic irreversible work processes and Hamiltonian natural systems)to Exergy Surface Shaping and Thermodynamic Flow Control (ESSTFC) for electro-mechanical-thermal (EMT) systems (i.e., irreversible work processes with heat and mass flows). The extension of HSSPFC requires the development of exergy potential functions, irreversible entropy production terms of the entropy balance equation to obtain the exergy destruction terms for inclusion in the exergy balance equation, and variational principles for producing consistent equations of motion for coupled EMT systems. The Hamiltonian for natural EM systems is an exergy potential function which leaves the development of exergy potential functions for the thermal part of the coupled models. This development is completed by integrating the exergy function over the control volume subject to the modeling assumptions. The irreversible entropy production terms are the exergy destruction terms of the exergy balance equation and the generalization of the mechanical dissipation and electrical resistance within EM systems. These generalized dissipation terms enable the derivation of a consistent set of coupled equations of motion for EMT systems. For this paper, Extended Irreversible Thermodynamics will be utilized to produce consistent thermal equations of motion that directly include the exergy destruction terms. There are several variational principles that are available for application to EMT systems. We focus on the variational principles developed by Biot and Fung [1, 2]. Furthermore, a simplified EMT system that models the EMT dynamics of a Navy ship equipped with a railgun is used to demonstrate the application of ESSTFC for designing high performance, stable nonlinear controllers for EMT systems.

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Illuminating the geology: Post-injection reservoir characterisation of the CO2CRC Otway site

International Journal of Greenhouse Gas Control

Dance, Tess; Laforce, Tara C.; Glubokovskikh, Stanislav; Ennis-King, Jonathan; Pevzner, Roman

Proper site characterisation is essential in the planning stages of a CO2 storage project; but we can also learn a good deal about the reservoir once the injection is underway or has been completed. During CO2CRC Otway Project Stage 2C, sources of valuable information about storage performance have been generated as a consequence of the staged injection of 15,000 t of CO2 rich gas, as well as observations from time-lapse seismic surveys and well monitoring data. Now that injection has ceased for Stage 2C, the geological model is compared against field observations for the period spanning injection and 23 months after injection ended. The post-injection reservoir characterisation has proven critical to refine the static and dynamic models for future field development and added assurance about the long-term stabilisation of the CO2 plume. The south-eastern progress of plume development, as seen on the time-lapse seismic data, has led to a review of the structural interpretation and horizon-fault geometry represented in the models. The developing plume has illuminated the extent of splay faults previously unresolved on the baseline seismic data. Saturation profiles interpreted from pulsed-neutron logs at the injection and observation wells show a preference for higher saturations occurring in high permeability distributary channels penetrated by each of the wells. This has reduced the uncertainty in predicting connectivity of this facies between the wells. The pressure data from numerous injection events has been used to refine the characterisation of the average horizontal permeability of the reservoir zone, and the vertical permeability of the intra-formational seal. Furthermore, it has been used to infer near-field bounding conditions of the interior splay fault, which in turn improves our understanding of containment at the site.

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Nonlinear ultrasonic technique for the quantification of dislocation density in additive materials

AIP Conference Proceedings

Bellotti, Aurelio; Kim, Jin Y.; Bishop, Joseph E.; Jared, Bradley H.; Susan, Donald F.; Jacobs, Laurence J.

This research applies nonlinear ultrasonic techniques for the quantitative characterization of additively manufactured materials. The characterization focuses on identifying the dislocation density produced during the additive constructive process in order to increase confidence on a part's performance and the success of the manufacturing process. Second harmonic generation techniques based on the transmission of Rayleigh surface waves are used to measure the ultrasonic nonlinearity parameter, β, which has proven a quantitative indicator of dislocations but has not been fully proven in additive manufactured materials. 316L and 304L stainless steel parts made from Powder Bed Fusion and Laser Engineered Net Shaping are compared between AM techniques and with wrought manufactured counterparts. β is consistently higher for additive manufactured parts. An annealing heat treatment is applied to each specimen to reduce dislocation density. β expectedly decreases by annealing in all specimens. A linear ultrasonic measurement is made to evaluate the effectiveness of using nonlinear techniques. The ultrasonic attenuation is higher for additive manufactured parts and increases at higher frequencies.

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Progress on building a laboratory based x-ray phase contrast imaging computed tomography system

AIP Conference Proceedings

Thompson, Kyle R.; Dagel, Amber L.; Goodner, Ryan N.; Epstein, Collin

Sandia National Laboratories is developing a laboratory-based x-ray phase contrast imaging (XPCI) computed tomography (CT) system. This system utilizes a Talbot-Lau interferometer based on in-house fabricated gratings and a conventional x-ray system. Initial work has focused on adding CT capabilities to a 28 keV XPCI system. A new set of gratings tuned for an x-ray energy of 100 keV is being developed. This new grating set will facilitate imaging denser components. System configuration details will be presented as well as a discussion of the challenges associated with building an XPCI CT system. Additionally, initial imaging results will be presented.

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Listening to temperature: Ultrasonic non-destructive identification of material phase and temperature

AIP Conference Proceedings

Moore, D.G.; Jack, David; Jeffrey, Taylor

In the chemical transport field, such as petro-chemicals or food processing, there is a need to quantify the spatially varying temperature and phase state of the material within a cylindrical vessel, such as a pipeline, using non-invasive techniques. Using ultrasonic signals, which vary in time-of-flight, intensity, and wave characteristics based on the temperature and phase of a material, an automated technique is presented which can provide a non-axisymmetric map of the phase and temperature inside a cylindrical vessel within a single plane using exclusively information from the through-transmission wave and the external temperature profile. This research demonstrates the approach using an amorphous wax, due to its stable nature and ability to be reheated many times without changing the properties of the wax. Due to its amorphous nature, the wax transitions from a solid to a low-viscosity fluid over a range of temperatures. This behavior is similar to that of a thermoplastic and a slurry experiencing curing. As the spatial temperature within a container of wax increases the time of flight for an ultrasonic signal will change. Results presented indicate the ability of the investigated technique to map the temperature and phase change of the wax based solely on the ultrasonic signals and knowledge of the external temperature on the outer edge of the vessel.

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Characterization and nondestructive inspection of additively manufactured materials

AIP Conference Proceedings

Bays, Nathan R.; Moore, D.G.

Additively manufactured (AM) components often exhibit significant discontinuities and indications without a clear understanding of how they might affect the mechanical properties of a part during qualification and service. This uncertainty is unacceptable for the design and manufacturing of most aerospace components. Current research in both mechanical testing and nondestructive evaluation involves developing methods for characterizing and inspecting AM components as the use of such materials continues to rise. Although several AM manufacturing methods have been developed in recent decades, this paper focuses on AM production-ready processes for a direct metal laser sintering (DMLS) powder bed fusion machine and will provide background on Sandia National Laboratories' research efforts in this area. Tensile bar samples manufactured using the DMLS powder bed fusion method were inspected in this study, and the results of ultrasonic spectroscopy for assessing internal flaws will be presented. A combination of material property evaluation, microstructural characterization, and nondestructive inspection techniques will also be described. The results obtained from these material evaluation methods assist in determining inspection limits and methods for qualifying AM materials.

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Terahertz Detection with Perfectly-Absorbing Photoconductive Metasurface

Nano Letters

Siday, Thomas; Vabishchevich, P.P.; Hale, Lucy; Harris, Charles T.; Luk, Ting S.; Reno, John L.; Brener, Igal; Mitrofanov, Oleg

Terahertz (THz) photoconductive devices are used for generation, detection, and modulation of THz waves, and they rely on the ability to switch electrical conductivity on a subpicosecond time scale using optical pulses. However, fast and efficient conductivity switching with high contrast has been a challenge, because the majority of photoexcited charge carriers in the switch do not contribute to the photocurrent due to fast recombination. Here, we improve efficiency of electrical conductivity switching using a network of electrically connected nanoscale GaAs resonators, which form a perfectly absorbing photoconductive metasurface. We achieve perfect absorption without incorporating metallic elements, by breaking the symmetry of cubic Mie resonators. As a result, the metasurface can be switched between conductive and resistive states with extremely high contrast using an unprecedentedly low level of optical excitation. We integrate this metasurface with a THz antenna to produce an efficient photoconductive THz detector. The perfectly absorbing photoconductive metasurface opens paths for developing a wide range of efficient optoelectronic devices, where required optical and electronic properties are achieved through nanostructuring the resonator network.

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A high-speed, high-performance, microfabricated comprehensive two-dimensional gas chromatograph

Lab on a Chip

Whiting, Joshua J.; Myers, Edward; Manginell, Ronald; Moorman, Matthew W.; Anderson, John M.; Fix, Cory S.; Washburn, Cody; Al StatonAl; Porter, Daniel; Graf, Darin; Wheeler, David R.; Howell, Stephen; Richards, John A.; Bays, Nathan R.; Achyuthan, Komandoor; Roukes, Michael; Simonson, Robert J.

A small, consumable-free, low-power, ultra-high-speed comprehensive GC×GC system consisting of microfabricated columns, nanoelectromechanical system (NEMS) cantilever resonators for detection, and a valve-based stop-flow modulator is demonstrated. The separation of a highly polar 29-component mixture covering a boiling point range of 46 to 253 °C on a pair of microfabricated columns using a Staiger valve manifold in less than 7 seconds, and just over 4 seconds after the ensemble holdup time is demonstrated with a downstream FID. The analysis time of the second dimension was 160 ms, and peak widths in the second dimension range from 10-60 ms. A peak capacity of just over 300 was calculated for a separation of just over 6 s. Data from a continuous operation testing over 40 days and 20000 runs of the GC×GC columns with the NEMS resonators using a 4-component test set is presented. The GC×GC-NEMS resonator system generated second-dimension peak widths as narrow as 8 ms with no discernable peak distortion due to under-sampling from the detector.

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Correlating thermoelectric (Bi,Sb)2Te3 film electric transport properties with microstructure

Journal of Applied Physics

Siegal, Michael P.; Podkaminer, J.; Lima-Sharma, Ana L.; Sharma, Peter A.; Medlin, Douglas L.

The room temperature electronic transport properties of 1 μm thick Bi0.4Sb1.6Te3 (BST) films correlate with overall microstructural quality. Films with homogeneous composition are deposited onto fused silica substrates, capped with SiN to stop both oxidation and Te loss, and postannealed to temperatures ranging from 200 to 450 °C. BST grain sizes and (00l) orientations improve dramatically with annealing to 375 °C, with smaller increases to 450 °C. Tiny few-nanometer-sized voids in the as-deposited film grain boundaries coalesce into larger void sizes up to 300 nm with annealing to 350 °C; the smallest voids continue coalescing with annealing to 450 °C. These voids are decorated with few-nanometer-sized Sb clusters that increase in number with increasing annealing temperatures, reducing the Sb content of the remaining BST film matrix. Resistivity decreases linearly with increasing temperature over the entire range studied, consistent with improving crystalline quality. The Seebeck coefficient also improves with crystalline quality to 350 °C, above which void coalescence and reduced Sb content from the BST matrix correlate with a decrease in the Seebeck coefficient. Yet, a plateau exists for an optimal power factor between 350 and 450 °C, implying thermal stability to higher temperatures than previously reported.

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Preliminary Engineering and Cost Analysis for DPC Disposal Solutions. Final Draft

Hardin, Ernest; Alsaed, Abdelhalim A.

There are currently (as of January, 2019) more than 2,700 dual-purpose canisters (DPCs) loaded with spent nuclear fuel (SNF) across the United States. DPCs continue to be loaded at a rate of more than 200 per year by mid-century there are likely to be more than 8,160 DPCs in service. Options for disposing of SNF loaded in DPCs include repackaging into specialized disposal canisters, directly disposing of the loaded DPCs (with or without modification), or some combination of the two. The main technical challenges for direct disposal of loaded DPCs are thermal management, handling and emplacement operations for the large, heavy packages, and postclosure criticality control. This report focuses on postclosure criticality control which is the most challenging. The challenge lies in determining how to modify DPCs so as to minimize the probability that a criticality event might occur in a repository, or if the DPCs are not modified, to understand the nature and consequences of postclosure criticality events. There are several approaches that could facilitate direct disposal of loaded DPCs with acceptable repository performance. This report describes these approaches and presents comparative analysis of the rough-order-of-magnitude (ROM) costs. Repackaging SNF in DPCs into specialized disposal canisters could be financially and operationally costly with additional radiological, operational safety, and management risks. A disposition approach that would not involve repackaging or modifications to DPCs (future or already loaded) is development of a new licensing strategy that addresses the risk (probability and consequence) from criticality events. A different approach would modify existing loaded DPCs (some or all of them), and change the loading or design of future DPCs, to decrease the probability of a criticality event in a repository below levels of concern. This report investigates the cost to modify existing loaded DPCs, and the cost to modify the loading or design of future DPCs to facilitate direct disposal. It establishes the ROM cost for repackaging SNF that has been loaded into DPCs, into specialized canisters for disposal. It also identifies technical and regulatory challenges associated with the potential design modifications and loading considerations. It is left to future analyses to compare radiological, operational safety, and management risks associated with the available approaches.

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Using In Situ Neutron Diffraction to Isolate Specific Features of Additively Manufactured Microstructures in 304L Stainless Steel and Identify Their Effects on Macroscopic Strength

Metallurgical and Materials Transactions. A, Physical Metallurgy and Materials Science

Adams, David P.; Brown, Donald W.; Balogh, L.; Carpenter, John S.; Clausen, Bjorn; Livescu, Veronica; Martinez, Ramon M.; Morrow, Benjamin M.; Palmer, T.A.; Pokharel, Reeju; Strantza, M.; Vogel, S.C.

Additive manufacturing of metal components results in unique microstructures with, necessarily, mechanical properties that are distinct from conventionally produced components. In this paper, four distinct microstructural features associated with directed energy deposition of 304L stainless steels, their stability, and their influences on flow strength were examined. These were (1) high dislocation density comparable with deformed materials, (2) increased ferrite content, (3) local chemical heterogeneity, and (4) tortuous grain morphology. In situ neutron diffraction measurements were used to monitor the evolution of the as-built microstructure during post-build heat treatment and relate the specific microstructural features to the strength behavior of the material following the heat treatment. The increased flow strength of the additively manufactured material relative to wrought counterparts is found to be due primarily to an increased dislocation density in the as-built material. However, the increased dislocation density does not completely account for the increased strength and it is hypothesized that some of the additional strength is related to the unique AM grain structure.

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Congestion Estimation Using Traffic Cameras

Snyder, Corey; Gonzales, Daniel A.; Do, Minh; Ma, Tian J.

Traffic cameras are becoming a popular form of surveillance in traffic bodies across the country. With recent advances in computer vision and deep learning, there is a great opportunity to leverage these images to provide real-time traffic estimates and other public services. In this report, we detail some of the challenges, current interests of the research community, and our early efforts in using traffic cameras for vehicle detection and traffic estimation. We also discuss a benchmark traffic dataset that we are assembling and plan to release to the research community to motivate further work in this area.

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Big Hill 2018 InSAR Analysis U.S. Strategic Petroleum Reserve

Lord, Anna S.

The historical subsidence surveys shot over the U.S. Strategic Petroleum Reserve Big Hill site, located in southeastern Texas, have indicated surface uplift since 2002. In order to better understand and substantiate the surface behavior inferred from annual elevation measurements, InSAR (interferometric synthetic aperture radar) data was acquired. InSAR involves the processing of multiple satellite synthetic aperture radar scenes acquired across the same location of the Earth's surface at different times to map surface deformation. The analysis of the data can detect millimeters of motion spanning days, months, year and decades, across specific sites. The InSAR analysis indicates the fastest subsidence rates are over the north central region of the site, specifically centered over caverns 104 and 103. Subsidence rates decrease towards both the west and east, with the western side subsiding at greater rate than the eastern edge. There is some uplift noted, off the site and off the dome to the east. Overall, the subsidence pattern is in line with subsidence behavior expected over a cavern field. In investigating the validity of the uplift measured during the ground surveys it was discovered that reference location can impact results. An exercise was conducted that took the current InSAR data and presented two varying results dependent on the reference location, either on or off the dome. The conclusion was that if the reference is located on the dome, as it has been for years for the ground surveys, the reference location is moving too, giving the appearance of uplift.

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Validation of Puncture Simulations with Various Probe Geometries

Hubbard, Neal B.

Ductile materials fail through mechanisms of void nucleation and coalescence. A tensile test of a ductile metal begins with reversible elastic deformation, proceeds through permanent plastic deformation, and ends with rupture. Dislocations in the grains of a metal do not slip in the elastic range but begin moving in the plastic range. As the dislocations interact with grain boundaries and each other, they cause increasing resistance to plastic deformation, termed work hardening. The applied load and the true stress rise together during this process. When the dislocations have no room to move, voids open up in the material. As these voids coalesce into cracks, the true stress rises rapidly and the sustained load decreases. Rupture occurs when the cracks propagate through the specimen and it loses all load-carrying capacity. The complexity of the ductile fracture phenomenon continues to attract substantial attention from researchers. Sharp objects in a production environment can puncture fragile components made from ductile metals. Non-linear dynamic simulations help engineers to plan processes such that these components do not fail when an accident happens. The projectile is termed a probe, and the component is the target. The surface of the probe that contacts the target may be sharp, blunt, or flat. Probes are typically cylindrical for simplicity, but other shapes that exist in the production environment are equally applicable.

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Basis of Estimate Summary - Combined Radiation Environments for Survivability Testing (CREST)

Nesbit, Christopher

The following document is Sandia National Laboratories Facilities Site and Strategic Partnerships methodology and assumptions used in the assembly of programming, planning, and budgeting level cost range for early capital acquisition needs development and communication. This basis of estimate summary is specific to the Combined Radiation Environments for Survivability Testing (CREST) Line Item proposal, and reflects updated estimates provided by the Subject Matter Experts (SME) team as indicated.

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A Reliability Study on the ALERTUS Emergency Management Notification System

Muna, Alice B.; Lafleur, Chris

Sandia National Laboratories conducted a reliability analysis on the Alertus mass notification system to determine if improvements need to be made to the system to increase reliability. The Alertus mass notification system for Building 803 was analyzed with a set number of components. The components, their associated failure modes and failure mode rates were inputted into a fault tree in the SAPHIRE software which calculated the reliability of the system to be 0.998269.

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Country-Level Climate Uncertainty for Risk Assessments (Vol.1)

Backus, George A.; Lowry, Thomas S.; Jones, Shannon M.; La Jenkins, Tonya N.; Roberts, Barry L.; Malczynski, Leonard A.

This report uses the CMIP5 series of climate model simulations to produce country- level uncertainty distributions for use in socioeconomic risk assessments of climate change impacts. It provides appropriate probability distributions, by month, for 169 countries and autonomous-areas on temperature, precipitation, maximum temperature, maximum wind speed, humidity, runoff, soil moisture and evaporation for the historical period (1976-2005), and for decadal time periods to 2100. It also provides historical and future distributions for the Arctic region on ice concentration, ice thickness, age of ice, and ice ridging in 15-degree longitude arc segments from the Arctic Circle to 80 degrees latitude, plus two polar semicircular regions from 80 to 90 degrees latitude. The report provides simplified algorithms with which anyone on any country can determine their risk from climate change and to include in resilience evaluations. The full report is contained in 27 volumes.

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A Comprehensive Radiological Characterization of the ACRR Facility

Robinson, Alexandra R.

Radiation Protection (628) in conjunction with Nuclear Facility Operations (1381) completed a comprehensive radiological conditions characterization of the ACRR facility between August 2015 and January 2017 to better understand the radiological environment in and around the ACRR High-Bay. The overall goals of the characterization, as identified by 1381 and 628, were to determine potential dose to workers during routine reactor operations, areas of potential elevated dose in and around the ACRR High-Bay, the relationship between reactor power and dose during steady-state operations, and the dose per pulse for pulsed operations. To accomplish this, eight configurations were identified of interest for characterization based on increased dose potential for which field surveys were completed to include assessment of the neutron spectra for each, determination of neutron dose conversion factors (Neutron Codes) based on defined neutron spectra, mapped dose surveys for each configuration, as well as determination of the relationship between dose and reactor power level during steady-state reactor operations. Steady-state survey data was also used to calculate dose per pulse approximations during pulsed reactor operations.

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Evaluations of Advanced Thermal Shock-Resistant Cement (TSRC) Suitable to Withstand Frequent Thermal Cycling (Six-month Report)

Bauer, Stephen; Pyatina, Tatiana; Sugama, Toshi

This report documents additional evaluations of Thermal Shock-Resistant Cement (TSRC) developed by Brookhaven National Laboratory (BNL). Our work focused on thermal expansion, and fluid flow through the TSRC, and the application of thermal shock to a steel/TSRC sheathed sample. The key contributions of this work to the geothermal community are: 1) Development of a test system to make measurements of material properties at elevated temperature and pressure. 2) Measurements of thermal expansion and permeability of TSRC at elevated temperature and pressure conditions relevant to in situ geothermal conditions. 3) Development of a test system to thermally shock a steel/TSRC sheathed sample at elevated temperature and pressure conditions relevant to in situ geothermal conditions. Herein we report the results of the study of repeated testing upon 3 cylindrical samples supplied by BNL, one steel, one TSRC, and one steel/TSRC sheathed sample.

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Review of Failure Modes Applicable to Prestressed Concrete Containments

Hogancamp, Joshua; James, Randy; Dameron, Robert

Prestressed concrete containment structures are subject to performance loss primarily due to aging and degradation. Many nuclear power plants (NPPs) have extended operating licenses beyond the design life of 40 years and some are considering operation for up to 80 years. The focus of this review is to determine which modes of performance loss, or 'failure modes', are most applicable to prestressed concrete containment vessels (PCCVs) beyond the age of 40 years. A list of failure modes taken from Crystal River Nuclear Plant Special Inspection Report is analyzed for applicability to aging nuclear containment structures. Each failure mode is described and discussed in detail. A table is provided to highlight the severity of each failure mode. This page left blank

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PDCI Damping Controller Summary of Project Achievements

Schoenwald, David A.; Pierre, Brian J.; Wilches-Bernal, Felipe; Elliott, Ryan T.; Byrne, Raymond H.; Neely, Jason C.; Trudnowski, Daniel J.

This report presents a complete listing, as of May 2019, of the damping controller (DCON) project accomplishments including a project overview, project innovations, awards, patent application, journal papers, conference papers, project reports, and project presentations. The purpose of the DCON is to mitigate inter-area oscillations in the WI by active improvement of oscillatory mode damping using phasor measurement unit (PMU) feedback to modulate power flow in the PDCI. The DCON project is the result of a collaboration between Sandia National Laboratories (SNL), Montana Technological University (MTU), Bonneville Power Administration (BPA), and the Department of Energy Office of Electricity (DOE-OE).

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PDCI Damping Controller Test Results and Project Summary

Schoenwald, David A.; Pierre, Brian J.; Wilches Bernal, Felipe; Elliott, Ryan T.; Byrne, Raymond H.; Neely, Jason C.; Trudnowski, Daniel J.

This report presents the results from testing of the Pacific DC Intertie (PDCI) wide-area damping controller (DCON) on the actual electric power grid in the western region of North America known as the Western Interconnection (WI). In addition, this report summarizes the key contributions and development strategy of the DCON. Therefore, this report also serves as the final report for the DCON project, which is known as TIP (Technology Innovation Project) no. 289. The purpose of the DCON is to mitigate inter-area oscillations in the WI by active improvement of oscillatory mode damping using phasor measurement unit (PMU) feedback to modulate power flow in the PDCI. This report describes the tests conducted, analysis of the results, and conclusions drawn as to the performance and safety of the DCON in the improvement of damping for inter-area oscillations in the WI. The DCON is the result of a collaboration between Sandia National Laboratories (SNL), Bonneville Power Administration (BPA), Montana Technological University (MTU), and the Department of Energy Office of Electricity (DOE-OE).

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Kinetics of Failure in an Elastic Peridynamic Material

Silling, Stewart

The dynamic behavior of an elastic peridynamic material with a nonconvex bond potential is studied. In spite of the material's inherently unstable nature, initial value problems can be solved using essentially the same techniques as with conventional materials. In a suitably constructed material model, small perturbations grow exponentially over time until the material fails. The time for this growth is computed explicitly for a stretching bar that passes from the stable to the unstable phase of the material model. This time to failure represents an incubation time for the nucleation of a crack. The finiteness of the failure time in effect creates a rate dependence in the failure properties of the material. Thus, the unstable nature of the elastic material leads to a rate effect even though it does not contain any terms that explicitly include a strain rate dependence.

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Sculpt: Automatic Parallel Hexahedral Mesh Generation

Owen, Steven J.; Ernst, Corey D.; Stimpson, Clinton

Sculpt is a companion application to Cubit designed to run in parallel for generating all-hex meshes of complex geometry. It uses a unique overlay-grid procedure that extracts surfaces from a volume-fraction representation of the geometry. This allows for fast, automatic, fault-tolerant meshing in a high-performance computing (HPC) environment. Although Sculpt can be driven from Cubit as a GUI front-end, Sculpt was developed as a separate application so that it can be run independently from Cubit on HPC computing platforms. It was also designed as a separable software library so it can be easily integrated as an in-situ meshing solution within other codes. This work provides a brief technical discussion of the algorithms used in Sculpt as well as a complete user's manual. It includes details of the Cubit interface to Sculpt and the complete manual for the stand-alone application, including examples.

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CFD design-load analysis of a two-body wave energy converter

Journal of Ocean Engineering and Marine Energy

Coe, Ryan G.; Rosenberg, Brian J.; Quon, Eliot W.; Chartrand, Christopher C.; Yu, Yi H.; Van Rij, Jennifer; Mundon, Tim R.

Wave energy converters (WECs) must survive in a wide variety of conditions while minimizing structural costs, so as to deliver power at cost-competitive rates. Although engineering design and analysis tools used for other ocean systems, such as offshore structures and ships, can be applied, the unique nature and limited historical experience of WEC design necessitates assessment of the effectiveness of these methods for this specific application. This paper details a study to predict extreme loading in a two-body WEC using a combination of mid-fidelity and high-fidelity numerical modeling tools. Here, the mid-fidelity approach is a time-domain model based on linearized potential flow hydrodynamics and the high-fidelity modeling tool is an unsteady Reynolds-averaged Navier–Stokes model. In both models, the dynamics of the WEC power take-off and mooring system have been included. For the high-fidelity model, two design wave approaches (an equivalent regular wave and a focused wave) are used to estimate the worst case wave forcing within a realistic irregular sea state.These simplified design wave approaches aim to capture the extreme response of the WEC within a feasible amount of computational effort. When compared to the mid-fidelity model results in a long-duration irregular sea, the short-duration design waves simulated in CFD produce upper percentile load responses, hinting at the suitability of these two approaches.

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Access Control: A Review of 2015-2019 Events (SNL/NM)

Mackenzie, Cheryl

Due to a number of recent events where access control into or out of a hazardous area or operation was a factor, the Environment, Safety, and Health (ES&H) director requested a review of access control events occurring at Sandia National Laboratories from 2015 to January 2019. The purpose of the review was to determine the extent of access control as an ES&H issue, draw preliminary conclusions from the data, and identify recommendations for improvement, if appropriate. Using the Occurrence Reporting and Processing System (ORPS) database, nine events from 2015 through January 2019 were identified as situations involving access control of personnel into or out of a hazardous area or operation. Supplemental records from the Assurance Information System (AIS) database and the occurrence management team's repository in Electronic Integrated Management System (EIMS) were sought to confirm this dataset of access control events and to gather details concerning the causal factors associated with each event.

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Compression Analytics for Classification and Anomaly Detection Within Network Communication

IEEE Transactions on Information Forensics and Security

Ting, Christina; Field, Richard V.; Fisher, Andrew N.; Bauer, Travis L.

The flexibility of network communication within Internet protocols is fundamental to network function, yet this same flexibility permits the possibility of malicious use. In particular, malicious behavior can masquerade as benign traffic, thus evading systems designed to catch misuse of network resources. However, perfect imitation of benign traffic is difficult, meaning that small unintentional deviations from normal can occur. Identifying these deviations requires that the defenders know what features reveal malicious behavior. Herein, we present an application of compression-based analytics to network communication that can reduce the need for defenders to know a priori what features they need to examine. Motivating the approach is the idea that compression relies on the ability to discover and make use of predictable elements in information, thereby highlighting any deviations between expected and received content. We introduce a so-called 'slice compression' score to identify malicious or anomalous communication in two ways. First, we apply normalized compression distances to classification problems and discuss methods for reducing the noise by excising application content (as opposed to protocol features) using slice compression. Second, we present a new technique for anomaly detection, referred to as slice compression for anomaly detection. A diverse collection of datasets are analyzed to illustrate the efficacy of the proposed approaches. While our focus is network communication, other types of data are also considered to illustrate the generality of the method.

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Three-Dimensional Tracking of High-Speed Tumbling Projectiles Using Stroboscopic Imaging

Bixler, Daniel J.

Creating images of high-speed projectiles has been a topic of interest for almost a century. Historically, ballistics ranges have used air-gap flash photography or high-speed video cameras to capture this type of data. Air-gap flash photography provides a single image at each camera station. Using modern high-speed imagers provides accurate data but is cost prohibitive for a long-distance range. This paper presents a camera system capable of capturing the three-dimensional data of high speed projectiles over a long distance. The system uses relatively low-cost cameras which are set up in a stereo vision configuration and uses high-speed strobe lights to create multi exposure images. Each pulse of light captures the position of the projectile as it passes the camera. For each position captured in the image, the three-dimensional position of the projectile is found using triangulation geometry. The linear velocity of the projectile is calculated by combining the position of the projectile with timing data. Two test series were conducted. The first test series compares different cameras and backdrops for the camera system. The second test series captured position data for two different shapes of high-speed tumbling projectiles.

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Monitoring Surface Phenomena Created by an Underground Chemical Explosion Using Fully Polarimetric VideoSAR

IEEE Transactions on Geoscience and Remote Sensing

Yocky, David A.; West, Roger D.; Riley, Robert M.; Calloway, Terry M.

Sandia National Laboratories flew its Facility for Advanced RF and Algorithm Development X-Band (9.6-GHz center frequency), fully polarimetric synthetic aperture radar (PolSAR) in VideoSAR mode to collect complex-valued SAR imagery before, during, and after the sixth Source Physics Experiment's (SPE-6) underground explosion. The VideoSAR products generated from the data sets include 'movies' of single-and quad-polarization coherence maps, magnitude imagery, and polarimetric decompositions. Residual defocus, due to platform motion during data acquisition, was corrected with a digital elevation model-based autofocus algorithm. We generated and exploited the VideoSAR image products to characterize the surface movement effects caused by the underground explosion. Unlike seismic sensors, which measure local area seismic waves using sparse spacing and subterranean positioning, these VideoSAR products captured high-spatial resolution, 2-D, time-varying surface movement. The results from the fifth SPE (SPE-5) used single-polarimetric VideoSAR data. In this paper, we present single-polarimetric and fully polarimetric VideoSAR results while monitoring the SPE-6 underground chemical explosion. We show that fully polarimetric VideoSAR imaging provides a unique, coherent, time-varying measure of the surface expression of the SPE-6 underground chemical explosion. We include new surface characterization results from the measured PolSAR SPE-6 data via H/A/α polarimetric decomposition.

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A phase-field formulation for dynamic cohesive fracture

Computer Methods in Applied Mechanics and Engineering

Geelen, Rudy J.M.; Liu, Yingjie; Hu, Tianchen; Tupek, Michael R.; Dolbow, John E.

We extend a phase-field/gradient damage formulation for cohesive fracture to the dynamic case. The model is characterized by a regularized fracture energy that is linear in the damage field, as well as non-polynomial degradation functions. Two categories of degradation functions are examined, and a process to derive a given degradation function based on a local stress–strain response in the cohesive zone is presented. The resulting model is characterized by a linear elastic regime prior to the onset of damage, and controlled strain-softening thereafter. The governing equations are derived according to macro- and microforce balance theories, naturally accounting for the irreversible nature of the fracture process by introducing suitable constraints for the kinetics of the underlying microstructural changes. The model is complemented by an efficient staggered solution scheme based on an augmented Lagrangian method. Numerical examples demonstrate that the proposed model is a robust and effective method for simulating cohesive crack propagation, with particular emphasis on dynamic fracture.

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Zirconium chloride molecular species: combining electron impact mass spectrometry and first principles calculations

SN Applied Sciences

Borjas Nevarez, Rosendo; Kim, Eunja; Childs, Bradley C.; Braband, Henrik; Bigler, Laurent; Stalder, Urs; Alberto, Roger; Weck, Philippe F.; Poineau, Frederic

Zirconium tetrachloride was synthesized from the reaction between zirconium metal and chlorine gas at 300 °C and was analyzed by electron impact mass spectrometry (EI-MS). Substantial fragmentation products of ZrCl4 were observed in the mass spectra, with ZrCl3 being the most abundant species, followed by ZrCl2, ZrCl, and Zr. The predicted geometry and kinetic stability of the fragments previously mentioned were investigated by density functional theory (DFT) calculations. Energetics of the dissociation processes support the most stable fragment to be ZrCl3 while the least abundant are ZrCl and ZrCl2.

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Machine-learning error models for approximate solutions to parameterized systems of nonlinear equations

Computer Methods in Applied Mechanics and Engineering

Freno, Brian A.; Carlberg, Kevin T.

This work proposes a machine-learning framework for constructing statistical models of errors incurred by approximate solutions to parameterized systems of nonlinear equations. These approximate solutions may arise from early termination of an iterative method, a lower-fidelity model, or a projection-based reduced-order model, for example. The proposed statistical model comprises the sum of a deterministic regression-function model and a stochastic noise model. The method constructs the regression-function model by applying regression techniques from machine learning (e.g., support vector regression, artificial neural networks) to map features (i.e., error indicators such as sampled elements of the residual) to a prediction of the approximate-solution error. The method constructs the noise model as a mean-zero Gaussian random variable whose variance is computed as the sample variance of the approximate-solution error on a test set; this variance can be interpreted as the epistemic uncertainty introduced by the approximate solution. This work considers a wide range of feature-engineering methods, data-set-construction techniques, and regression techniques that aim to ensure that (1) the features are cheaply computable, (2) the noise model exhibits low variance (i.e., low epistemic uncertainty introduced), and (3) the regression model generalizes to independent test data. Numerical experiments performed on several computational-mechanics problems and types of approximate solutions demonstrate the ability of the method to generate statistical models of the error that satisfy these criteria and significantly outperform more commonly adopted approaches for error modeling.

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Correlations and Cascades in Magnetized Turbulence

IEEE Transactions on Plasma Science

Beckwith, Kristian; Grete, Philipp; O'Shea, Brian W.

Many terrestrial and astrophysical plasmas encompass very large dynamical ranges in space and time, which are not accessible by direct numerical simulations. Thus, idealized subvolumes are often used to study small-scale effects including the dynamics of magnetized turbulence. A significant aspect of magnetized turbulence is the transfer of energy from large to small scales, in part through the operation of a turbulent cascade. In this paper, we present a new shell-to-shell energy transfer analysis framework for understanding energy transfer within magnetized turbulence and in particular, through the cascade. We demonstrate the viability of this framework through application to a series of isothermal subsonic and supersonic simulations of compressible magnetized turbulence and utilize results from this analysis to establish a nonlinear benchmark for compressible magnetized turbulence in the subsonic regime. We further study how the autocorrelation time of the driving and its normalization systematically change properties of compressible magnetized turbulence. For example, we find that δ -in-time forcing with a constant energy injection leads to a steeper slope in kinetic energy spectrum and less efficient small-scale dynamo action. We examine how these results can impact a range of diagnostics relevant for a range of terrestrial and astrophysical applications.

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Power Flow in Pulsed-Power Systems: The Influence of Hall Physics and Modeling of the Plasma-Vacuum Interface

IEEE Transactions on Plasma Science

Hamlin, Nathaniel D.; Seyler, Charles E.

Extended-MHD simulations of power flow along a pulsed-power transmission line are performed in a 2-D axisymmetric geometry, in particular looking at the influence of Hall physics for a transmission line coupled to the liner used in a magnetized liner inertial fusion experiment at Sandia National Labs. It was recently shown by the authors that, for a coaxial transmission line, when Hall physics is included, significantly more blow-off occurs from plasma initialized against the anode compared to the cathode. The mechanism of this blow-off was traced to electron {text{E}}× {text{B}} drift modeled by the Hall term. This result is also observed for the present simulations, and it is shown that the anode blow-off significantly delays the coupling of current to the liner. It is also found that Hall MHD and MHD results are sensitive to the treatment of density floors and the plasma-vacuum interface. Although MHD shows more sensitivity than Hall MHD, correct modeling of the transition from plasma to vacuum remains an unsolved problem that must be addressed in order to improve the predictive capability of fluid-based power flow simulations with regard to energy coupling.

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Using simulation to examine the effect of MPI message matching costs on application performance

Parallel Computing

Levy, Scott; Ferreira, Kurt B.; Schonbein, Whit; Grant, Ryan; Dosanjh, Matthew G.F.

Attaining high performance with MPI applications requires efficient message matching to minimize message processing overheads and the latency these overheads introduce into application communication. In this paper, we use a validated simulation-based approach to examine the relationship between MPI message matching performance and application time-to-solution. Specifically, we examine how the performance of several important HPC workloads is affected by the time required for matching. Our analysis yields several important contributions: (i) the performance of current workloads is unlikely to be significantly affected by MPI matching unless match queue operations get much slower or match queues get much longer; (ii) match queue designs that provide sublinear performance as a function of queue length are unlikely to yield much benefit unless match queue lengths increase dramatically; and (iii) we provide guidance on how long the mean time per match attempt may be without significantly affecting application performance. The results and analysis in this paper provide valuable guidance on the design and development of MPI message match queues.

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Creating stable productive CSE software development and integration processes in unstable environments on the path to exascale

Proceedings - 2019 IEEE/ACM 14th International Workshop on Software Engineering for Science, SE4Science 2019

Bartlett, Roscoe; Frye, Joseph R.

The Sandia National Laboratories (SNL) Advanced Technology Development and Mitigation (ATDM) project focuses on R&D for exascale computational science and engineering (CSE) software. Exascale application (APP) codes are co-developed and integrated with a large number of 2^nd generation Trilinos packages built on top of Kokkos for achieving portable performance. These efforts are challenged by needing to develop and test on many unstable and constantly changing pre-exascale platforms using immature compilers and other system software. Challenges, experiences, and lessons learned are presented for creating stable development and integration workflows for these types of difficult projects. In particular, we describe automated workflows, testing, and integration processes as well as new tools and multi-team collaboration processes for effectively keeping a large number of automated builds and tests working on these unstable platforms.

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Wave tank and bench-top control testing of a wave energy converter

Applied Ocean Research

Bacelli, Giorgio; Spencer, Steven J.; Patterson, David C.; Coe, Ryan G.

An increasing number of experiments are being conducted to study the design and performance of wave energy converters. Often in these tests, a real-time realization of prospective control algorithms is applied in order to assess and optimize energy absorption as well as other factors. This paper details the design and execution of an experiment for evaluating the capability of a model-scale WEC to execute basic control algorithms. Model-scale hardware, system, and experimental design are considered, with a focus on providing an experimental setup capable of meeting the dynamic requirements of a control system. To more efficiently execute such tests, a dry bench testing method is proposed and utilized to allow for controller tuning and to give an initial assessment of controller performance; this is followed by wave tank testing. The trends from the dry bench test and wave tank test results show good agreement with theory and confirm the ability of a relatively simple feedback controller to substantially improve energy absorption. Additionally, the dry bench testing approach is shown to be an effective and efficient means of designing and testing both controllers and actuator systems for wave energy converters.

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Dual gene expression analysis identifies factors associated with Staphylococcus aureus virulence in diabetic mice

Infection and Immunity

Jacquet, Rudy; LaBauve, Annette E.; Akoolo, Lavoisier; Patel, Shivani; Alqarzaee, Abdulelah A.; Fok Lung, Tania W.; Poorey, Kunal; Stinear, Timothy P.; Thomas, Vinai C.; Meagher, Robert M.; Parker, Dane

Staphylococcus aureus is a major human pathogen of the skin. The global burden of diabetes is high, with S. aureus being a major complication of diabetic wound infections. We investigated how the diabetic environment influences S. aureus skin infection and observed an increased susceptibility to infection in mouse models of both type I and type II diabetes. A dual gene expression approach was taken to investigate transcriptional alterations in both the host and bacterium after infection. While analysis of the host response revealed only minor changes between infected control and diabetic mice, we observed that S. aureus isolated from diabetic mice had significant increases in the levels of genes associated with translation and posttranslational modification and chaperones and reductions in the levels of genes associated with amino acid transport and metabolism. One family of genes upregulated in S. aureus isolated from diabetic lesions encoded the Clp proteases, associated with the misfolded protein response. The Clp proteases were found to be partially glucose regulated as well as influencing the hemolytic activity of S. aureus. Strains lacking the Clp proteases ClpX, ClpC, and ClpP were significantly attenuated in our animal model of skin infection, with significant reductions observed in dermonecrosis and bacterial burden. In particular, mutations in clpP and clpX were significantly attenuated and remained attenuated in both normal and diabetic mice. Our data suggest that the diabetic environment also causes changes to occur in invading pathogens, and one of these virulence determinants is the Clp protease system.

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The effect of gamma radiation exposure on active silicon photonic device performance metrics

IEEE Transactions on Nuclear Science

Hoffman, Galen

In this paper, we test Si vertical-junction disk modulators and waveguide-integrated Ge p-i-n photodiodes (PDs) to see how the key performance metrics are affected by 60Co gamma radiation (total ionizing dose), a common proxy for simulating a mix of high-energy ion particle flux. It is found that reverse bias dark current increases significantly for both devices after 1-Mrad(Si) exposure. As the bandwidth of the Si disk modulator decreases by 6.5% after 1-Mrad(Si) dose, the bandwidth of the Ge p-i-n PD appears to be unaffected. The increased sensitivity of the Si disk modulator bandwidth to gamma radiation is hypothesized to be caused by a decrease in the carrier concentration of the junction with a resulting increase in the p-n junction RC time constant. The Ge p-i-n PD is relatively insensitive to the surface effects, because the absorption happens away from the SiO2-Ge interface and the gamma radiation has a minimal effect on carrier mobility.

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Generalized Boundary Detection Using Compression-based Analytics

ICASSP, IEEE International Conference on Acoustics, Speech and Signal Processing - Proceedings

Ting, Christina; Field, Richard; Quach, Tu T.; Bauer, Travis L.

We present a new method for boundary detection within sequential data using compression-based analytics. Our approach is to approximate the information distance between two adjacent sliding windows within the sequence. Large values in the distance metric are indicative of boundary locations. A new algorithm is developed, referred to as sliding information distance (SLID), that provides a fast, accurate, and robust approximation to the normalized information distance. A modified smoothed z-score algorithm is used to locate peaks in the distance metric, indicating boundary locations. A variety of data sources are considered, including text and audio, to demonstrate the efficacy of our approach.

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Plastic deformation and material transfer on steel gage blocks during low force mechanical probing

Precision Engineering

Forrest, Eric C.; Mertes, Rick; Gray, Jeremy M.; Brumbach, Michael T.; Ramsdale, Samuel J.; Argibay, Nicolas; Tran, Hy

Contact probing of gaging surfaces is used throughout dimensional metrology. Probe tips such as ruby, sapphire, or diamond are commonly employed as styli for universal length measuring machines (ULMs) and coordinate measuring machines (CMMs) due to the hardness, durability, and wear resistance. Gaging surfaces of gage blocks are precision ground or lapped, with very low surface roughness to enable wringing. Damage or contamination of these surfaces can prevent wringing and lead to measurement error. Experimental investigations using a horizontal ULM and CMM have revealed that even at low force settings (≤0.16 N), probe materials such as ruby and sapphire can cause plastic deformation to hardened carbon chrome steel (such as AISI 52,100) gage block surfaces at the microscale, likely attributed to fretting-associated wear. Under some conditions, permanent transfer of material from the probe stylus to the gaging surface is possible. Results demonstrate irreversible changes and damage to gaging surfaces with repeated probe contact on a ULM and CMM. Optical microscopy, optical profilometry, and scanning electron microscopy (SEM) provide a semi-quantitative assessment of microscale plastic deformation and material transfer. X-ray photoelectron spectroscopy (XPS), Auger electron spectroscopy (AES), and Raman techniques confirm chemical constituency of reference materials used (gage blocks and probes) and also identify makeup of deposits on gaging surfaces following probe contact.

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Distributed output-feedback model predictive control for multi-agent consensus

Systems and Control Letters

Copp, David A.; Vamvoudakis, Kyriakos G.; Hespanha, Joao P.

We propose a distributed output-feedback model predictive control approach for achieving consensus among multiple agents. Each agent computes a distributed control action based on an output-feedback measurement of a local neighborhood tracking error and communicates information only to its neighbors, according to a communication network modeled as a directed graph. Each agent computes its distributed control action by solving a local min–max optimization problem that simultaneously computes a local state estimate and control input under worst-case assumptions on unmeasured input disturbances and measurement noise. Under easily verified controllability and observability assumptions, this distributed output-feedback model predictive control approach provides an upper bound on the group consensus error, thereby ensuring practical consensus in the presence of unmeasured disturbances and noise. A numerical example with four agents connected in a directed graph is given to illustrate the results.

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High-Mobility Transparent Conducting Oxides for Compact Epsilon-Near-Zero Silicon Photonic Phase Modulators

2019 Conference on Lasers and Electro-Optics, CLEO 2019 - Proceedings

Wood, Michael G.; Reines, Isak C.; Luk, Ting S.; Serkland, Darwin K.; Campione, Salvatore

We numerically analyze the role of carrier mobility in transparent conducting oxides in epsilon-near-zero phase modulators. High-mobility materials such as cadmium oxide enable compact photonic phase modulators with a modulation figure of merit > 29-{\circ}/\mathrm{dB}.

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Results 25001–25200 of 101,000
Results 25001–25200 of 101,000
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