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Arctic Climate Systems Analysis

Ivey, Mark D.; Robinson, David G.; Boslough, Mark; Backus, George A.; Peterson, Kara J.; Van Bloemen Waanders, Bart; Swiler, Laura P.; Desilets, Darin M.; Reinert, Rhonda K.

This study began with a challenge from program area managers at Sandia National Laboratories to technical staff in the energy, climate, and infrastructure security areas: apply a systems-level perspective to existing science and technology program areas in order to determine technology gaps, identify new technical capabilities at Sandia that could be applied to these areas, and identify opportunities for innovation. The Arctic was selected as one of these areas for systems level analyses, and this report documents the results. In this study, an emphasis was placed on the arctic atmosphere since Sandia has been active in atmospheric research in the Arctic since 1997. This study begins with a discussion of the challenges and benefits of analyzing the Arctic as a system. It goes on to discuss current and future needs of the defense, scientific, energy, and intelligence communities for more comprehensive data products related to the Arctic; assess the current state of atmospheric measurement resources available for the Arctic; and explain how the capabilities at Sandia National Laboratories can be used to address the identified technological, data, and modeling needs of the defense, scientific, energy, and intelligence communities for Arctic support.

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Wind turbine blade shear web disbond detection using rotor blade operational sensing and data analysis

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Griffith, Daniel; Myrent, Noah; Adams, Douglas E.

A wind turbine blade's structural dynamic response is simulated and analysed with the goal of characterizing the presence and severity of a shear web disbond. Computer models of a 5MW offshore utility-scale wind turbine were created to develop effective algorithms for detecting such damage. Through data analysis and with the use of blade measurements, a shear web disbond was quantified according to its length. An aerodynamic sensitivity study was conducted to ensure robustness of the detection algorithms. In all analyses, the blade's flap-wise acceleration and root-pitching moment were the clearest indicators of the presence and severity of a shear web disbond. A combination of blade and non-blade measurements was formulated into a final algorithm for the detection and quantification of the disbond. The probability of detection was 100% for the optimized wind speed ranges in laminar, 30% horizontal shear and 60% horizontal shear conditions.

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SAR Image Complex Pixel Representations

Doerry, Armin W.

Complex pixel values for Synthetic Aperture Radar (SAR) images of uniform distributed clutter can be represented as either real/imaginary (also known as I/Q) values, or as Magnitude/Phase values. Generally, these component values are integers with limited number of bits. For clutter energy well below full-scale, Magnitude/Phase offers lower quantization noise than I/Q representation. Further improvement can be had with companding of the Magnitude value.

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GMTI Direction of Arrival Measurements from Multiple Phase Centers

Doerry, Armin W.; Bickel, Douglas L.

Ground Moving Target Indicator (GMTI) radar attempts to detect and locate targets with unknown motion. Very slow-moving targets are difficult to locate in the presence of surrounding clutter. This necessitates multiple antenna phase centers (or equivalent) to offer independent Direction of Arrival (DOA) measurements. DOA accuracy and precision generally remains dependent on target Signal-to-Noise Ratio (SNR), Clutter-toNoise Ratio (CNR), scene topography, interfering signals, and a number of antenna parameters. This is true even for adaptive techniques like Space-Time-AdaptiveProcessing (STAP) algorithms.

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Limits to Clutter Cancellation in Multi-Aperture GMTI Data

Doerry, Armin W.; Bickel, Douglas L.

Multi-aperture or multi-subaperture antennas are fundamental to Ground Moving Target Indicator (GMTI) radar systems in order to detect slow-moving targets with Doppler characteristics similar to clutter. Herein we examine the performance of several subaperture architectures for their clutter cancelling performance. Significantly, more antenna phase centers isn’t always better, and in fact is sometimes worse, for detecting targets.

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Systems-Level Synthetic Biology for Advanced Biofuel Production

Ruffing, Anne R.; Jensen, Travis J.; Strickland, Lucas M.; Meserole, Stephen; Tallant, David R.

Cyanobacteria have been shown to be capable of producing a variety of advanced biofuels; however, product yields remain well below those necessary for large scale production. New genetic tools and high throughput metabolic engineering techniques are needed to optimize cyanobacterial metabolisms for enhanced biofuel production. Towards this goal, this project advances the development of a multiple promoter replacement technique for systems-level optimization of gene expression in a model cyanobacterial host: Synechococcus sp. PCC 7002. To realize this multiple-target approach, key capabilities were developed, including a high throughput detection method for advanced biofuels, enhanced transformation efficiency, and genetic tools for Synechococcus sp. PCC 7002. Moreover, several additional obstacles were identified for realization of this multiple promoter replacement technique. The techniques and tools developed in this project will help to enable future efforts in the advancement of cyanobacterial biofuels.

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Visualization for Hyper-Heuristics: Front-End Graphical User Interface

Kroenung, Lauren

Modern society is faced with ever more complex problems, many of which can be formulated as generate-and-test optimization problems. General-purpose optimization algorithms are not well suited for real-world scenarios where many instances of the same problem class need to be repeatedly and efficiently solved because they are not targeted to a particular scenario. Hyper-heuristics automate the design of algorithms to create a custom algorithm for a particular scenario. While such automated design has great advantages, it can often be difficult to understand exactly how a design was derived and why it should be trusted. This project aims to address these issues of usability by creating an easy-to-use graphical user interface (GUI) for hyper-heuristics to support practitioners, as well as scientific visualization of the produced automated designs. My contributions to this project are exhibited in the user-facing portion of the developed system and the detailed scientific visualizations created from back-end data.

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A Comparison of Genetic Programming Variants for Hyper-Heuristics

Harris, Sean

Modern society is faced with ever more complex problems, many of which can be formulated as generate-and-test optimization problems. General-purpose optimization algorithms are not well suited for real-world scenarios where many instances of the same problem class need to be repeatedly and efficiently solved, such as routing vehicles over highways with constantly changing traffic flows, because they are not targeted to a particular scenario. Hyper-heuristics automate the design of algorithms to create a custom algorithm for a particular scenario. Hyper-heuristics typically employ Genetic Programming (GP) and this project has investigated the relationship between the choice of GP and performance in Hyper-heuristics. Results are presented demonstrating the existence of problems for which there is a statistically significant performance differential between the use of different types of GP.

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Visualization for Hyper-Heuristics: Back-End Processing

Simon, Luke

Modern society is faced with increasingly complex problems, many of which can be formulated as generate-and-test optimization problems. Yet, general-purpose optimization algorithms may sometimes require too much computational time. In these instances, hyperheuristics may be used. Hyper-heuristics automate the design of algorithms to create a custom algorithm for a particular scenario, finding the solution significantly faster than its predecessor. However, it may be difficult to understand exactly how a design was derived and why it should be trusted. This project aims to address these issues by creating an easy-to-use graphical user interface (GUI) for hyper-heuristics and an easy-to-understand scientific visualization for the produced solutions. To support the development of this GUI, my portion of the research involved developing algorithms that would allow for parsing of the data produced by the hyper-heuristics. This data would then be sent to the front-end, where it would be displayed to the end user.

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Enabling Secure Scalable Microgrids with High Penetration Renewables

Wilson, David G.; Glover, Steven F.; Betty, Rita G.

Laboratory Directed Research and Design (LDRD) originating technologies are being developed to address challenges inherent to highly stochastic energy sources and loads, to conceivably satisfy the electrical energy needs of national/international power systems. The Enabling Secure, Scalable Microgrids with High Penetration Renewables Grand Challenge LDRD (FY11-FY13) aimed to develop a novel intelligent grid architecture, Secure Scalable Microgrid (SSM), based on closed loop controls and an agent-based architecture supporting intelligent power flow control. The approach was to enable self-healing, self-adapting, self-organizing architectures and allow a trade-off between storage in the grid versus information flow to control generation sources, power distribution, and where necessary, loads. L

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Development of Quality Assessment Techniques for Large Eddy Simulation of Propulsion and Power Systems in Complex Geometries

Lacaze, Guilhem; Oefelein, Joseph

Large-eddy-simulation (LES) is quickly becoming a method of choice for studying complex thermo-physics in a wide range of propulsion and power systems. It provides a means to study coupled turbulent combustion and flow processes in parameter spaces that are unattainable using direct-numerical-simulation (DNS), with a degree of fidelity that can be far more accurate than conventional engineering methods such as the Reynolds-averaged Navier-Stokes (RANS) approximation. However, development of predictive LES is complicated by the complex interdependence of different type of errors coming from numerical methods, algorithms, models and boundary con- ditions. On the other hand, control of accuracy has become a critical aspect in the development of predictive LES for design. The objective of this project is to create a framework of metrics aimed at quantifying the quality and accuracy of state-of-the-art LES in a manner that addresses the myriad of competing interdependencies. In a typical simulation cycle, only 20% of the computational time is actually usable. The rest is spent in case preparation, assessment, and validation, because of the lack of guidelines. This work increases confidence in the accuracy of a given solution while minimizing the time obtaining the solution. The approach facilitates control of the tradeoffs between cost, accuracy, and uncertainties as a function of fidelity and methods employed. The analysis is coupled with advanced Uncertainty Quantification techniques employed to estimate confidence in model predictions and calibrate model's parameters. This work has provided positive consequences on the accuracy of the results delivered by LES and will soon have a broad impact on research supported both by the DOE and elsewhere.

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Analysis of Multi-Arm Caliper Data for the U.S. Strategic Petroleum Reserve

Roberts, Barry L.

The U.S. Strategic Petroleum Reserve (SPR) has an increasing reliance on multi-arm caliper surveys to assess the integrity of casing for cavern access wells and to determine priorities for casing remediation. Multi-arm caliper (MAC) surveys provide a view of well casing deformation by reporting radial measurements of the inner casing wall as the tool is drawn through the casing. Over the last several years the SPR has collected a large number of modern MAC surveys. In total, these surveys account for over 100 million individual measurements. The surveys were collected using differing survey vendors and survey hardware. This has resulted in a collection of disparate data sets which confound attempts to make well-to-well or time-dependent evaluations. In addition, the vendor supplied MAC interpretations often involve variables which are not well defined or which may not be applicable to casings for cavern access wells. These factors reduce the usability of these detailed data sets. In order to address this issue and provide an independent analysis of multi-arm caliper survey data, Sandia National Labs has developed processing techniques and analysis variables which allow for the comparison of MAC survey data regardless of the source of the survey data. These techniques use the raw radial arm information and newly developed analysis variables to assess the casing status and provide a means for well-to-well and time-dependent analyses. Well-to-well and time-dependent investigation of the MAC survey data provide s information to prioritize well remediation activities and identify wells with integrity issues. This paper presents the challenges in using disparate MAC survey data, techniques developed to address these challenges and some of the insights gained from these new techniques.

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Submerged Medium Voltage Cable Systems at Nuclear Power Plants: A Review of Research Efforts Relevant to Aging Mechanisms and Condition Monitoring

Brown, Jason; Bernstein, Robert; Von White II, Gregory; Glover, Steven F.; Neely, Jason C.; Pena, Gary; Williamson, Kenneth M.; Zutavern, Fred J.; Gelbard, Fred M.

In a submerged environment, power cables may experience accelerated insulation degradation due to water-related aging mechanisms. Direct contact with water or moisture intrusion in the cable insulation system has been identified in the literature as a significant aging stressor that can affect performance and lifetime of electric cables. Progressive reduction of the dielectric strength is commonly a result of water treeing which involves the development of permanent hydrophilic structures in the insulation coinciding with the absorption of water into the cable. Water treeing is a phenomenon in which dendritic microvoids are formed in electric cable insulation due to electrochemical reactions, electromechanical forces, and diffusion of contaminants over time. These reactions are caused by the combined effects of water presence and high electrical stresses in the material. Water tree growth follows a tree-like branching pattern, increasing in volume and length over time. Although these cables can be “dried out,” water tree degradation, specifically the growth of hydrophilic regions, is believed to be permanent and typically worsens over time. Based on established research, water treeing or water induced damage can occur in a variety of electric cables including XLPE, TR-XLPE and other insulating materials, such as EPR and butyl rubber. Once water trees or water induced damage form, the dielectric strength of an insulation material will decrease gradually with time as the water trees grow in length, which could eventually result in failure of the insulating material. Under wet conditions or in submerged environments, several environmental and operational parameters can influence water tree initiation and affect water tree growth. These parameters include voltage cycling, field frequency, temperature, ion concentration and chemistry, type of insulation material, and the characteristics of its defects. In this effort, a review of academic and industrial literature was performed to identify: 1) findings regarding the degradation mechanisms of submerged cabling and 2) condition monitoring methods that may prove useful in predicting the remaining lifetime of submerged medium voltage power cables. The research was conducted by a multi-disciplinary team, and sources included official NRC reports, national laboratory reports, IEEE standards, conference and journal proceedings, magazine articles, PhD dissertations, and discussions with experts. The purpose of this work was to establish the current state-of-the-art in material degradation modeling and cable condition monitoring techniques and to identify research gaps. Subsequently, future areas of focus are recommended to address these research gaps and thus strengthen the efficacy of the NRC’s developing cable condition monitoring program. Results of this literature review and details of the testing recommendations are presented in this report.

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Performance Test Protocol for Evaluating Inverters Used in Grid-Connected Photovoltaic Systems

Gonzalez, Sigifredo; Newmiller, Jeff; Blodgett, Douglas

Interconnection equipment that connects distributed resources (DR) to an electrical power system (EPS) are expected to do so efficiently. Standardized test procedures are necessary to establish methods for verifying inverter performance that leads to comparable results. These test procedures are provided as a repeatable, independent means of measuring inverter performance regarding maximum continuous power rating, conversion efficiency, and tare loss characteristics.

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Literature Survey of Crude Oil Properties Relevant to Handling and Fire Safety in Transport

Lord, David; Luketa, Anay; Wocken, Chad; Schlasner, Steve; Aulich, Ted; Allen, Ray; Rudeen, David

Several fiery rail accidents in 2013-2015 in the U.S. and Canada carrying crude oil produced from the Bakken region of North Dakota have raised questions at many levels on the safety of transporting this, and other types of crude oil, by rail. Sandia National Laboratories was commissioned by the U.S. Department of Energy to investigate the material properties of crude oils, and in particular the so-called "tight oils" like Bakken that comprise the majority of crude oil rail shipments in the U.S. at the current time. The current report is a literature survey of public sources of information on crude oil properties that have some bearing on the likelihood or severity of combustion events that may occur around spills associated with rail transport. The report also contains background information including a review of the notional "tight oil" field operating environment, as well a basic description of crude oils and potential combustion events in rail transport.

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Multiphysics Model of Palladium Hydride Isotope Exchange Accounting for Higher Dimensionality

Gharagozloo, Patricia E.; Eliassi, Mehdi; Bon, Bradley L.

This report summarizes computational model development and simulations results for a series of isotope exchange dynamics experiments including long and thin isothermal beds similar to the Foltz and Melius beds and a larger non-isothermal experiment on the NENG7 test bed. The multiphysics 2D axi-symmetric model simulates the temperature and pressure dependent exchange reaction kinetics, pressure and isotope dependent stoichiometry, heat generation from the reaction, reacting gas flow through porous media, and non-uniformities in the bed permeability. The new model is now able to replicate the curved reaction front and asymmetry of the exit gas mass fractions over time. The improved understanding of the exchange process and its dependence on the non-uniform bed properties and temperatures in these larger systems is critical to the future design of such systems.

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Guide to Using Sierra

Shaw, Ryan; Agelastos, Anthony M.; Miller, Joel D.

Sierra is an engineering mechanics simulation code suite supporting the Nation's Nuclear Weapons mission as well as other customers. It has explicit ties to Sandia National Labs' workfow, including geometry and meshing, design and optimization, and visualization. Distinguishing strengths include "application aware" development, scalability, SQA and V&V, multiple scales, and multi-physics coupling. This document is intended to help new and existing users of Sierra as a user manual and troubleshooting guide.

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Analysis of Dust Samples Collected from an Unused Spent Nuclear Fuel Interim Storage Container at Hope Creek, Delaware

Bryan, C.R.; Enos, David

In July, 2014, the Electric Power Research Institute and industry partners sampled dust on the surface of an unused canister that had been stored in an overpack at the Hope Creek Nuclear Generating Station for approximately one year. The foreign material exclusion (FME) cover that had been on the top of the canister during storage, and a second recently-removed FME cover, were also sampled. This report summarizes the results of analyses of dust samples collected from the unused Hope Creek canister and the FME covers. Both wet and dry samples of the dust/salts were collected, using SaltSmart(TM) sensors and Scotch-Brite(TM) abrasive pads, respectively. The SaltSmart(TM) samples were leached and the leachate analyzed chemically to determine the composition and surface load per unit area of soluble salts present on the canister surface. The dry pad samples were analyzed by X-ray fluorescence and by scanning electron microscopy to determine dust texture and mineralogy; and by leaching and chemical analysis to deter mine soluble salt compositions. The analyses showed that the dominant particles on the canister surface were stainless steel particles, generated during manufacturing of the canister. Sparse environmentally - derived silicates and aluminosilicates were also present. Salt phases were sparse, and consisted of mostly of sulfates with rare nitrates and chlorides. On the FME covers, the dusts were mostly silicates/aluminosilicates; the soluble salts were consistent with those on the canister surface, and were dominantly sulfates. It should be noted that the FME covers were w ashed by rain prior to sampling, which had an unknown effect of the measured salt loads and compositions. Sulfate salts dominated the assemblages on the canister and FME surfaces, and included Ca-SO4 , but also Na-SO4, K-SO4, and Na-Al-SO4. It is likely that these salts were formed by particle - gas conversion reactions, either prior to, or after, deposition. These reactions involve reaction of carbonate, chloride, or nitrate salts with at mospheric SO2, sulfuric acid, or a mmonium sulfate to form sulfate minerals. The Na-Al-SO4 phase is unusual, and may have formed by reaction of Na-Al containing phases in aluminum smelter emissions with SO2 , also present in smelter emissions. An aluminum smelter is located in Camden, NJ, 40 miles NE of the Hope Creek Site.

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Structural Health and Prognostics Management for Offshore Wind Plants (Final Report)

Griffith, Daniel

This final report is a compilation of research efforts – funded by the US Department of Energy Wind and Water Power Technologies Office over a four-year period from FY11 through FY14. The goals of this research program were to develop and evaluate technical innovations with promise for maximizing revenues and reducing levelized cost of energy (LCOE) for offshore wind plants – more specifically the goals of the Structural Health and Prognostics Management (SHPM) program were to reduce O&M costs and increase energy capture through use of SHPM-based technologies. A technology roadmap was developed at the start of the project to guide the research efforts. This roadmap identified and outlined six major research thrust areas each having five stages of maturity. Research was conducted in each of these thrust areas, as documented throughout this report, although a major focus was on development of damage detection strategies for the most frequent blade damage conditions and damage mitigation and life-extension strategies via changes in turbine operations (smart loads management). The work summarized in this compilation report is the product of the work of many researchers. A summary of the major findings, status of the SHPM Technology Roadmap and recommendations for future work are also provided.

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Waste Assessment Baseline for the IPOC Second Floor, West Wing

Mccord, Samuel A.

Following a building-wide waste assessment in September, 2014, and subsequent presentation to Sandia leadership regarding the goal of Zero Waste by 2025, the occupants of the IPOC Second Floor, West Wing contacted the Materials Sustainability and Pollution Prevention (MSP2) team to guide them to Zero Waste in advance of the rest of the site. The occupants are from Center 3600, Public Relations and Communications , and Center 800, Independent Audit, Ethics and Business Conduct . To accomplish this, MSP2 conducted a new limited waste assessment from March 2-6, 2015 to compare the second floor, west wing to the building as a whole. The assessment also serves as a baseline with which to mark improvements in diversion in approximately 6 months.

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Nitrogen Monitoring of West Hackberry 117 Cavern Wells (Revision 1)

Bettin, Giorgia; Lord, David

U.S. Strategic Petroleum Reserve (SPR) oil storage cavern West Hackberry 117 was tested under extended nitrogen monitoring following a successful mechanical integrity test in order to validate a newly developed hydrostatic column model to be used to differentiate between normal “tight” well behavior and small-leak behavior under nitrogen. High resolution wireline pressure and temperature data were collected during the test period and used in conjunction with the hydrostatic column model to predict the nitrogen/oil interface and the pressure along the entire fluid column from the bradenhead flange nominally at ground surface to bottom of brine pool. Results here and for other SPR caverns have shown that wells under long term nitrogen monitoring do not necessarily pressurize with a relative rate (PN2/Pbrine) of 1. The theoretical relative pressure rate depends on the well configuration, pressure and the location of the nitrogen-oil interface and varies from well to well. For the case of WH117 the predicted rates were 0.73 for well A and 0.92 for well B. The measured relative pressurization rate for well B was consistent with the model prediction, while well A rate was found to be between 0.58-0.68. A number of possible reasons for the discrepancy between the model and measured rates of well A are possible. These include modeling inaccuracy, measurement inaccuracy or the possibility of the presence of a very small leak (below the latest calculated minimum detectable leak rate).

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Procedure for Performing Security Camera Optical Performance Analysis Tests

Furgal, David T.

Digital security camera technologies proliferate the security marketplace with manufacturers extoling the functions, features, specifications and virtues of their cameras. A process to comparatively analyze security camera technologies using international camera analysis standards and methods provides a defensible means to assess camera image quality on a technically comparable basis. The procedures in this document use ISO standard camera test charts and camera image analysis software to perform test chart image analysis for comparative camera assessment. Step-by-step procedures for acquiring test chart images in the laboratory and producing analysis data using analysis software GUI controls and interfaces for comparative analysis of security camera image quality are detailed in this document. The procedures have been validated through the test and analysis of fixed box and 180 degree field of view multi-imager cameras as well as, fixed and varifocal lenses and analog-to-digital video encoder image quality performance attributes.

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Draft Geologic Disposal Requirements Basis for STAD Specification

Ilgen, Anastasia G.; Bryan, C.R.; Hardin, Ernest

This document provides supporting technical rationale in draft form as input for: STAD Performance Specification Requirements Rationale (planned to be issued as FCRD-NFST-2015- 000106). The supporting rationale addresses those parts of the storage, transportation and disposal (STAD) canister performance specification that pertain to geologic disposal. These parts include service lifetime, repository thermal performance, postclosure criticality, and materials selection. Each draft performance specification is presented, and those pertaining to geologic disposal are elaborated with brief sections labeled Rationale. More detail is provided in appendices that address: long-term performance of borated stainless steel, use of borated stainless steel in existing designs, recommendations for additional corrosion studies, stress corrosion cracking of canister shell materials, and a generic postclosure safety case for STAD canisters.

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Modeling Evacuation of a Hospital without Electric Power

Prehospital and Disaster Medicine

Vugrin, Eric D.; Verzi, Stephen J.; Finley, Patrick D.; Turnquist, Mark A.; Griffin, Anne R.; Ricci, Karen A.; Wyte-Lake, Tamar

Hospital evacuations that occur during, or as a result of, infrastructure outages are complicated and demanding. Loss of infrastructure services can initiate a chain of events with corresponding management challenges. This report describes a modeling case study of the 2001 evacuation of the Memorial Hermann Hospital in Houston, Texas (USA). The study uses a model designed to track such cascading events following loss of infrastructure services and to identify the staff, resources, and operational adaptations required to sustain patient care and/or conduct an evacuation. The model is based on the assumption that a hospital's primary mission is to provide necessary medical care to all of its patients, even when critical infrastructure services to the hospital and surrounding areas are disrupted. Model logic evaluates the hospital's ability to provide an adequate level of care for all of its patients throughout a period of disruption. If hospital resources are insufficient to provide such care, the model recommends an evacuation. Model features also provide information to support evacuation and resource allocation decisions for optimizing care over the entire population of patients. This report documents the application of the model to a scenario designed to resemble the 2001 evacuation of the Memorial Hermann Hospital, demonstrating the model's ability to recreate the timeline of an actual evacuation. The model is also applied to scenarios demonstrating how its output can inform evacuation planning activities and timing.

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Observation of electron-beam-induced phase evolution mimicking the effect of the charge-discharge cycle in Li-rich layered cathode materials used for Li ion batteries

Chemistry of Materials

Lu, Ping; Spoerke, Erik D.; Romero, Eric D.

Capacity loss and voltage fade upon electrochemical charge-discharge cycling observed in lithium-rich layered cathode oxides (Li[LixMnyTM1-x-y]O2, where TM = Ni, Co, or Fe) have recently been correlated with a gradual phase transformation featuring the formation of a surface reconstructed layer (SRL) that evolves from a thin (<2 nm), defect spinel layer upon the first charge to a relatively thick (∼5 nm), spinel or rock-salt layer upon continuous charge-discharge cycling. Here we report observations of an SRL and structural evolution of the SRL on the Li[Li0.2Ni0.2Mn0.6]O2 (LNMO) particles, which are identical to those reported due to the charge-discharge cycle but are a result of electron-beam irradiation during scanning transmission electron microscopy (STEM) imaging. Sensitivity of the lithium-rich layered oxides to high-energy electrons leads to the formation of a thin, defect spinel layer on surfaces of the particles upon exposure to a 200 kV electron beam for as little as 30 s under normal high-resolution STEM imaging conditions. Further electron irradiation produces a thicker layer of the spinel phase, ultimately producing a rock-salt layer at a higher electron exposure. Atomic-scale chemical mapping by energy dispersive X-ray spectroscopy in STEM indicates the electron-beam-induced SRL formation on LNMO is accomplished by migration of the transition metal ions to the Li sites without deconstruction of the lattice. This study provides insight into understanding the mechanism of forming the SRL and also possibly a means of studying structural evolution in the Li-rich layered oxides without involving electrochemistry.

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Direct comparisons of x-ray scattering and atomistic molecular dynamics simulations for precise acid copolymers and Ionomers

Macromolecules

Buitrago, C.F.; Bolintineanu, Dan S.; Seitz, Michelle E.; Opper, Kathleen L.; Wagener, Kenneth B.; Stevens, Mark J.; Frischknecht, Amalie L.; Winey, Karen I.

Designing acid- and ion-containing polymers for optimal proton, ion, or water transport would benefit profoundly from predictive models or theories that relate polymer structures with ionomer morphologies. Recently, atomistic molecular dynamics (MD) simulations were performed to study the morphologies of precise poly(ethylene-co-acrylic acid) copolymer and ionomer melts. Here, we present the first direct comparisons between scattering profiles, I(q), calculated from these atomistic MD simulations and experimental X-ray data for 11 materials. This set of precise polymers has spacers of exactly 9, 15, or 21 carbons between acid groups and has been partially neutralized with Li, Na, Cs, or Zn. In these polymers, the simulations at 120 °C reveal ionic aggregates with a range of morphologies, from compact, isolated aggregates (type 1) to branched, stringy aggregates (type 2) to branched, stringy aggregates that percolate through the simulation box (type 3). Excellent agreement is found between the simulated and experimental scattering peak positions across all polymer types and aggregate morphologies. The shape of the amorphous halo in the simulated I(q) profile is in excellent agreement with experimental I(q). The modified hard-sphere scattering model fits both the simulation and experimental I(q) data for type 1 aggregate morphologies, and the aggregate sizes and separations are in agreement. Given the stringy structure in types 2 and 3, we develop a scattering model based on cylindrical aggregates. Both the spherical and cylindrical scattering models fit I(q) data from the polymers with type 2 and 3 aggregates equally well, and the extracted aggregate radii and inter- and intra-aggregate spacings are in agreement between simulation and experiment. Furthermore, these dimensions are consistent with real-space analyses of the atomistic MD simulations. By combining simulations and experiments, the ionomer scattering peak can be associated with the average distance between branches of type 2 or 3 aggregates. This direct comparison of X-ray scattering data to the atomistic MD simulations is a substantive step toward providing a comprehensive, predictive model for ionomer morphology, gives substantial support for this atomistic MD model, and provides new credibility to the presence of stringy, branched, and percolated ionic aggregates in precise ionomer melts.

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Heterojunctions of model CdTe/CdSe mixtures

Modelling and Simulation in Materials Science and Engineering

Van Swol, Frank; Zhou, Xiaowang; Challa, Sivakumar R.; Martin, James E.

We report on the strain behavior of compound mixtures of model group II-VI semiconductors. We use the Stillinger-Weber Hamiltonian that we recently introduced, specifically developed to model binary mixtures of group II- VI compounds such as CdTe and CdSe. We employ molecular dynamics simulations to examine the behavior of thin sheets of material, bilayers of CdTe and CdSe. The lattice mismatch between the two compounds leads to a strong bending of the entire sheet, with about a 0.5 to 1° deflection between neighboring planes. To analyze bilayer bending, we introduce a simple onedimensional model and use energy minimization to find the angle of deflection. The analysis is equivalent to a least-squares straight line fit. We consider the effects of bilayers which are asymmetric with respect to the thickness of the CdTe and CdSe parts. From this we learn that the bending can be subdivided into four kinds depending on the compressive/tensile nature of each outer plane of the sheet. We use this approach to directly compare our findings with experimental results on the bending of CdTe/CdSe rods. To reduce the effects of the lattice mismatch we explore diffuse interfaces, where we mix (i.e. alloy) Te and Se, and estimate the strain response.

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An analytical elastic plastic contact model with strain hardening and frictional effects for normal and oblique impacts

International Journal of Solids and Structures

Brake, M.R.W.

Impact between metallic surfaces is a phenomenon that is ubiquitous in the design and analysis of mechanical systems. We found that to model this phenomenon, a new formulation for frictional elastic–plastic contact between two surfaces is developed. The formulation is developed to consider both frictional, oblique contact (of which normal, frictionless contact is a limiting case) and strain hardening effects. The constitutive model for normal contact is developed as two contiguous loading domains: the elastic regime and a transitionary region in which the plastic response of the materials develops and the elastic response abates. For unloading, the constitutive model is based on an elastic process. Moreover, the normal contact model is assumed to only couple one-way with the frictional/tangential contact model, which results in the normal contact model being independent of the frictional effects. Frictional, tangential contact is modeled using a microslip model that is developed to consider the pressure distribution that develops from the elastic–plastic normal contact. This model is validated through comparisons with experimental results reported in the literature, and is demonstrated to be significantly more accurate than 10 other normal contact models and three other tangential contact models found in the literature.

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Direct minority carrier transport characterization of InAs/InAsSb superlattice nBn photodetectors

Applied Physics Letters

Zuo, Daniel; Liu, Runyu; Wasserman, Daniel; He, Zhao Y.; Liu, Shi; Zhang, Yong H.; Kadlec, Emil A.; Olson, Benjamin V.; Shaner, Eric A.

We present an extensive characterization of the minority carrier transport properties in an nBn mid-wave infrared detector incorporating a Ga-free InAs/InAsSb type-II superlattice as the absorbing region. Using a modified electron beam induced current technique in conjunction with time-resolved photoluminescence, we were able to determine several important transport parameters of the absorber region in the device, which uses a barrier layer to reduce dark current. For a device at liquid He temperatures, we report a minority carrier diffusion length of 750 nm and a minority carrier lifetime of 200 ns, with a vertical diffusivity of 3 × 10-2 cm2/s. We also report on the device's optical response characteristics at 78 K.

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Control of mechanically activated polymersome fusion: Factors affecting fusion

Journal of Polymer Science, Part B: Polymer Physics

Henderson, Ian M.; Paxton, Walter F.

Previously, it was found that extruded (200 nm) polymer vesicles are capable of fusion into giant polymersomes using agitation in the presence of salt. In this study, several factors contributing to this phenomenon, including the effects of (i) polymer vesicle concentration, (ii) agitation speed and duration, and (iii) variation of the salt and its concentration are investigated. To accomplish these goals dynamic light scattering is used in conjunction with fluorescence microscopy, which provides insight into vesicles above the practical limit for DLS characterization. Increasing the concentration of the polymer dramatically increases the production of giant vesicles through the increased collisions of polymersomes. Likewise, increasing the frequency of agitation increases the efficiency of fusion, although ultimately the size of vesicle that could be produced is limited due to the high shear involved. Finally, salt-mediation of the fusion process was not limited to NaCl, but is instead a general effect facilitated by the presence of solvated ionic compounds, albeit with different salts initiating fusion at different concentrations.

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Sol-Generating Chemical Vapor into Liquid (SG-CViL) deposition - A facile method for encapsulation of diverse cell types in silica matrices

Journal of Materials Chemistry B

Johnston, Robert; Rogelj, Snezna; Harper, Jason C.; Tartis, Michaelann

In nature, cells perform a variety of complex functions such as sensing, catalysis, and energy conversion which hold great potential for biotechnological device construction. However, cellular sensitivity to ex vivo environments necessitates development of bio-nano interfaces which allow integration of cells into devices and maintain their desired functionality. In order to develop such an interface, the use of a novel Sol-Generating Chemical Vapor into Liquid (SG-CViL) deposition process for whole cell encapsulation in silica was explored. In SG-CViL, the high vapor pressure of tetramethyl orthosilicate (TMOS) is utilized to deliver silica into an aqueous medium, creating a silica sol. Cells are then mixed with the resulting silica sol, facilitating encapsulation of cells in silica while minimizing cell contact with the cytotoxic products of silica generating reactions (i.e. methanol), and reduce exposure of cells to compressive stresses induced from silica condensation reactions. Using SG-CVIL, Saccharomyces cerevisiae (S. cerevisiae) engineered with an inducible beta galactosidase system were encapsulated in silica solids and remained both viable and responsive 29 days post encapsulation. By tuning SG-CViL parameters, thin layer silica deposition on mammalian HeLa and U87 human cancer cells was also achieved. The ability to encapsulate various cell types in either a multi cell (S. cerevisiae) or a thin layer (HeLa and U87 cells) fashion shows the promise of SG-CViL as an encapsulation strategy for generating cell-silica constructs with diverse functions for incorporation into devices for sensing, bioelectronics, biocatalysis, and biofuel applications.

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Irreversibility of Image Transform using Feature Descriptors

Little, Charles Q.; Tucker, J.D.; Wilson, Christopher W.; Weber, Thomas M.

Our work in radiographic image matching has centered on the use of SURF (Speeded Up Robust Features) for feature detection, and FLANN (Fast Learning Artificial Neural Network) for feature matching. We discovered that while the SURF process does return information on location, scale, and rotation for each detected feature, they are not essential for image matching. The nature of the remaining feature detection data does not appear to contain any useful information in terms of reconstructing a useful portion of an image, and therefore is not amenable to reconstructing the original image. This led us to wonder if, in fact, we had discovered an irreversible process; the original image could not be constructed from the remaining feature data. Additional detail on the derivation of the image processing and matching algorithms and the irreversibility hypothesis are available in the final SAND Report documenting our previous LDRD work (SAND2015-9665 “Processing Radiation Images Behind an Information Barrier for Automatic Warhead Authentication” Little, Wilson, Weber and Novick, 2015).

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A study of the viability of exploiting memory content similarity to improve resilience to memory errors

International Journal of High Performance Computing Applications

Levy, Scott; Ferreira, Kurt; Bridges, Patrick G.; Thompson, A.P.; Trott, Christian R.

Building the next-generation of extreme-scale distributed systems will require overcoming several challenges related to system resilience. As the number of processors in these systems grow, the failure rate increases proportionally. One of the most common sources of failure in large-scale systems is memory. In this paper, we propose a novel runtime for transparently exploiting memory content similarity to improve system resilience by reducing the rate at which memory errors lead to node failure. We evaluate the viability of this approach by examining memory snapshots collected from eight high-performance computing (HPC) applications and two important HPC operating systems. Based on the characteristics of the similarity uncovered, we conclude that our proposed approach shows promise for addressing system resilience in large-scale systems.

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Path Scan Operational Data-Based Test Report

Hurd, Steven A.

The TTP program is managed by DHS S&T Cyber Division and facilitates the transition of technology from the research lab to the Homeland Security Enterprise. It serves as a connection point for cyber security researchers, the Federal Government, and the private sector. Technologies targeted are those that are likely to transition successfully to the commercial market and expected to have notable impact on the cyber security of our Nation’s networks or systems. The test element of the TTP program aids in the technology transfer process and is not intended to be adversarial. Additional information on the TTP program and the iterative process used can be found in Appendix A - TTP Program Overview.

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In situ measurements of a homogeneous to heterogeneous transition in the plastic response of ion-irradiated <111> Ni microspecimens

Acta Materialia

Zhao, Xinyu; Strickland, Daniel J.; Derlet, Peter M.; He, Mo-Rigen; Cheng, You J.; Pu, Jue; Hattar, Khalid M.; Gianola, Daniel S.

We report on the use of quantitative in situ microcompression experiments in a scanning electron microscope to systematically investigate the effect of self-ion irradiation damage on the full plastic response of <111> Ni. In addition to the well-known irradiationinduced increases in the yield and flow strengths with increasing dose, we measure substantial changes in plastic flow intermittency behavior, manifested as stress drops accompanying energy releases as the driven material transits critical states. At low irradiation doses, the magnitude of stress drops reduces relative to the unirradiated material and plastic slip proceeds on multiple slip systems, leading to quasi-homogeneous plastic flow. In contrast, highly irradiated specimens exhibit pronounced shear localization on parallel slip planes, which we ascribe to the onset of defect free channels normally seen in bulk irradiated materials. Our in situ testing system and approach allows for a quantitative study of the energy release and dynamics associated with defect free channel formation and subsequent localization. As a result, this study provides fundamental insight to the nature of interactions between mobile dislocations and irradiation-mediated and damage-dependent defect structures.

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Adhesion and wetting of soft nanoparticles on textured surfaces: Transition between Wenzel and Cassie-Baxter states

Langmuir

Stevens, Mark J.; Cao, Zhen; Carrillo, Jan M.Y.; Dobrynin, Andrey V.

We use a combination of the molecular dynamics simulations and scaling analysis to study interactions between gel-like nanoparticles and substrates covered with rectangular shape posts. Our simulations have shown that nanoparticles in contact with substrate undergo a first-order transition between the Cassie-Baxter and Wenzel states, which depends on nanoparticle shear modulus, the strength of nanoparticle-substrate interactions, height of the substrate posts, and nanoparticle size, Rp. There is a range of system parameters where these two states coexist such that the average indentation δ produced by substrate posts changes with nanoparticle shear modulus, Gp. We have developed a scaling model that describes deformation of nanoparticle in contact with patterned substrate. In the framework of this model, the effect of the patterned substrate can be taken into account by introducing an effective work of adhesion, Weff, which describes the first-order transition between Wenzel and Cassie-Baxter states. There are two different shape deformation regimes for nanoparticles with shear modulus Gp and surface tension γp. The shape of small nanoparticles with size Rp < γp3/2Gp-1Weff-1/2 is controlled by capillary forces, while deformation of large nanoparticles, Rp > γp3/2Gp-1Weff-1/2, is determined by nanoparticle elastic and contact free energies. The model predictions are in good agreement with simulation results.

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Toward an evolutionary task parallel integrated MPI + X Programming Model

Proceedings of the 6th International Workshop on Programming Models and Applications for Multicores and Manycores, PMAM 2015

Barrett, Richard F.; Stark, Dylan T.; Vaughan, Courtenay T.; Grant, Ryan; Olivier, Stephen L.; Foulk, James W.

The Bulk Synchronous Parallel programming model is showing performance limitations at high processor counts. We propose over-decomposition of the domain, operated on as tasks, to smooth out utilization of the computing resource, in particular the node interconnect and processing cores, and hide intra- and inter-node data movement. Our approach maintains the existing coding style commonly employed in computational science and engineering applications. Although we show improved performance on existing computers, up to 131,072 processor cores, the effectiveness of this approach on expected future architectures will require the continued evolution of capabilities throughout the codesign stack. Success then will not only result in decreased time to solution, but would also make better use of the hardware capabilities and reduce power and energy requirements, while fundamentally maintaining the current code configuration strategy.

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Neutron spectrometry for UF6 enrichment verification in storage cylinders

IEEE Transactions on Nuclear Science

Kiff, Scott

Verification of declared UF6 enrichment and mass in storage cylinders is of great interest in nuclear material nonproliferation. Nondestructive assay (NDA) techniques are commonly used for safeguards inspections to ensure accountancy of declared nuclear materials. Common NDA techniques used include gamma-ray spectrometry and both passive and active neutron measurements. In the present study, neutron spectrometry was investigated for verification of UF6 enrichment in 30B storage cylinders based on an unattended and passive measurement approach. MCNP5 and Geant4 simulated neutron spectra, for selected UF6 enrichments and filling profiles, were used in the investigation. The simulated neutron spectra were analyzed using principal component analysis (PCA). The PCA technique is a well-established technique and has a wide area of application including feature analysis, outlier detection, and gamma-ray spectral analysis. Results obtained demonstrate that neutron spectrometry supported by spectral feature analysis has potential for assaying UF6 enrichment in storage cylinders. Results from the present study also showed that difficulties associated with the UF6 filling profile and observed in other unattended passive neutron measurements can possibly be overcome using the approach presented.

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Direct observation and kinetics of a hydroperoxyalkyl radical (QOOH)

Science

Savee, John D.; Papajak, Ewa; Rotavera, Brandon; Huang, Haifeng; Eskola, Arkke J.; Welz, Oliver; Sheps, Leonid; Taatjes, Craig A.; Zador, Judit; Osborn, David L.

Oxidation of organic compounds in combustion and in Earth's troposphere is mediated by reactive species formed by the addition of molecular oxygen (O2) to organic radicals. Among the most crucial and elusive of these intermediates are hydroperoxyalkyl radicals, often denoted "QOOH." These species and their reactions with O2 are responsible for the radical chain branching that sustains autoignition and are implicated in tropospheric autoxidation that can form low-volatility, highly oxygenated organic aerosol precursors. We report direct observation and kinetics measurements of a QOOH intermediate in the oxidation of 1,3-cycloheptadiene, a molecule that offers insight into both resonance-stabilized and nonstabilized radical intermediates. The results establish that resonance stabilization dramatically changes QOOH reactivity and, hence, that oxidation of unsaturated organics can produce exceptionally long-lived QOOH intermediates.

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General volume sizing strategy for thermal storage system using phase change material for concentrated solar thermal power plant

Applied Energy

Tumilowicz, Eric; Li, Peiwen; Chan, Cholik

With an auxiliary large capacity thermal storage using phase change material (PCM), Concentrated Solar Power (CSP) is a promising technology for high efficiency solar energy utilization. In a thermal storage system, a dual-media thermal storage tank is typically adopted in industry for the purpose of reducing the use of the heat transfer fluid (HTF) which is usually expensive. While the sensible heat storage system (SHSS) has been well studied, a dual-media latent heat storage system (LHSS) still needs more attention and study. The volume sizing of the thermal storage tank, considering daily cyclic operations, is of particular significance. In this paper, a general volume sizing strategy for LHSS is proposed, based on an enthalpy-based 1D transient model. One example was presented to demonstrate how to apply this strategy to obtain an actual storage tank volume. With this volume, a LHSS can supply heat to a thermal power plant with the HTF at temperatures above a cutoff point during a desired 6. h of operation. This general volume sizing strategy is believed to be of particular interest for the solar thermal power industry.

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Controlling hollow relativistic electron beam orbits with an inductive current divider

Physics of Plasmas

Swanekamp, S.B.; Richardson, A.S.; Angus, J.R.; Cooperstein, G.; Hinshelwood, D.D.; Ottinger, P.F.; Rittersdorf, I.M.; Schumer, J.W.; Weber, B.V.; Zier, J.C.

A passive method for controlling the trajectory of an intense, hollow electron beam is proposed using a vacuum structure that inductively splits the beam's return current. A central post carries a portion of the return current (I1), while the outer conductor carries the remainder (I2). An envelope equation appropriate for a hollow electron beam is derived and applied to the current divider. The force on the beam trajectory is shown to be proportional to (I2-I1), while the average force on the envelope (the beam width) is proportional to the beam current Ib = (I2 + I1). The values of I1 and I2 depend on the inductances in the return-current path geometries. Proper choice of the return-current geometries determines these inductances and offers control over the beam trajectory. As a result, solutions using realistic beam parameters show that, for appropriate choices of the return-current-path geometry, the inductive current divider can produce a beam that is both pinched and straightened so that it approaches a target at near-normal incidence with a beam diameter that is on the order of a few mm.

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Neutron scattering studies of the hydration structure of Li+

Journal of Physical Chemistry A

Rempe, Susan; Mason, P.E.; Ansell, S.; Neilson, G.W.

New results derived from the experimental method of neutron diffraction and isotopic substitution (NDIS) are presented for the hydration structure of the lithium cation (Li+) in aqueous solutions of lithium chloride in heavy water (D2O) at concentrations of 6, 3, and 1 m and at 1.5 m lithium sulfate. By introducing new and more-accurate data reduction procedures than in our earlier studies (I. Howell and G. W. Neilson, J. Phys: Condens. Matter, 1996, 8, 4455-4463), we find, in the first hydration shell of Li+, ∼4.3(2) water molecules at 6 m, 4.9(3) at 3 m, 4.8(3) at 1 m in the LiCl solutions, and 5.0(3) water molecules in the case of Li2SO4 solution. The general form of the first hydration shell is similar in all four solutions, with the correlations for Li-O and Li-D sited at 1.96 (0.02) Å and 2.58 (0.02) Å, respectively. The results resemble those presented in 1996, in terms of ion-water distances and local coordination, but the hydration number is significantly lower for the case at 1 m than the 6.5 (1.0) given at that time. Thus, experimental and theoretical results now agree that lithium is hydrated by a small number of water molecules (4-5) in the nearest coordination shell.

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Understanding fuel anti-knock performances in modern SI engines using fundamental HCCI experiments

Combustion and Flame

Dec, John E.; Yang, Yi; Sjoberg, Carl M.; Ji, Chunsheng

Modern spark-ignition (SI) engine technologies have considerably changed in-cylinder conditions under which fuel autoignition and engine knock take place. In this paper, fundamental HCCI engine experiments are proposed as a means for characterizing the impact of these technologies on the knock propensity of different fuels. In particular, the impacts of turbocharging, direct injection (DI), and downspeeding on operation with ethanol and gasoline are investigated to demonstrate this approach. Results reported earlier for ethanol and gasoline on HCCI combustion are revisited with the new perspective of how their autoignition characteristics fit into the anti-knock requirement in modern SI engines. For example, the weak sensitivity to pressure boost demonstrated by ethanol in HCCI autoignition can be used to explain the strong knock resistance of ethanol fuels for turbocharged SI engines. Further, ethanol's high sensitivity to charge temperature makes charge cooling, which can be produced by fuel vaporization via direct injection or by piston expansion via spark-timing retard, very effective for inhibiting knock. On the other hand, gasoline autoignition shows a higher sensitivity to pressure, so only very low pressure boost can be applied before knock occurs. Gasoline also demonstrates low temperature sensitivity, so it is unable to make as effective use of the charge cooling produced by fuel vaporization or spark retard. These arguments comprehensively explain literature results on ethanol's substantially better anti-knock performance over gasoline in modern turbocharged DISI engines. Fundamental HCCI experiments such as these can thus be used as a diagnostic and predictive tool for knock-limited SI engine performance for various fuels. Examples are presented where HCCI experiments are used to identify biofuel compounds with good potential for modern SI-engine applications.

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Multiporosity flow in fractured low-permeability rocks: Extension to shale hydrocarbon reservoirs

Water Resources Research

Kuhlman, Kristopher L.; Malama, Bwalya; Heath, Jason E.

We presented a multiporosity extension of classical double and triple-porosity fractured rock flow models for slightly compressible fluids. The multiporosity model is an adaptation of the multirate solute transport model of Haggerty and Gorelick (1995) to viscous flow in fractured rock reservoirs. It is a generalization of both pseudo steady state and transient interporosity flow double-porosity models. The model includes a fracture continuum and an overlapping distribution of multiple rock matrix continua, whose fracture-matrix exchange coefficients are specified through a discrete probability mass function. Semianalytical cylindrically symmetric solutions to the multiporosity mathematical model are developed using the Laplace transform to illustrate its behavior. Furthermore, the multiporosity model presented here is conceptually simple, yet flexible enough to simulate common conceptualizations of double and triple-porosity flow. This combination of generality and simplicity makes the multiporosity model a good choice for flow modelling in low-permeability fractured rocks.

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Small-Scale Experiments.10-gallon drum experiment summary

Rosenberg, David

A series of sub-scale (10-gallon) drum experiments were conducted to characterize the reactivity, heat generation, and gas generation of mixtures of chemicals believed to be present in the drum (68660) known to have breached in association with the radiation release event at the Waste Isolation Pilot Plant (WIPP) on February 14, 2014, at a scale expected to be large enough to replicate the environment in that drum but small enough to be practical, safe, and cost effective. These tests were not intended to replicate all the properties of drum 68660 or the event that led to its breach, or to validate a particular hypothesis of the release event. They were intended to observe, in a controlled environment and with suitable diagnostics, the behavior of simple mixtures of chemicals in order to determine if they could support reactivity that could result in ignition or if some other ingredient or event would be necessary. There is a significant amount of uncertainty into the exact composition of the barrel; a limited sub-set of known components was identified, reviewed with Technical Assessment Team (TAT) members, and used in these tests. This set of experiments was intended to provide a framework to postulate realistic, data-supported hypotheses for processes that occur in a “68660-like” configuration, not definitively prove what actually occurred in 68660.

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Reactive multilayers fabricated by vapor deposition: A critical review

Thin Solid Films

Adams, David P.

Reactive multilayer thin films are a class of energetic materials that continue to attract attention for use in joining applications and as igniters. Generally composed of two reactants, these heterogeneous solids can be stimulated by an external source to promptly release stored chemical energy in a sudden emission of light and heat. In this critical review article, results from recent investigations of these materials are discussed. Discussion begins with a brief description of the vapor deposition techniques that provide accurate control of layer thickness and film composition. More than 50 reactive film compositions have been reported to date, with most multilayers fabricated by magnetron sputter deposition or electron-beam evaporation. In subsequent sections, we review how multilayer ignition threshold, reaction rate, and total heat are tailored via thin film design. For example, planar multilayers with nanometer-scale periodicity exhibit rapid, self-sustained reactions with wavefront velocities up to 100 m/s. Numeric and analytical models have elucidated many of the fundamental processes that underlie propagating exothermic reactions while demonstrating how reaction rates vary with multilayer design. Recent, time-resolved diffraction and imaging studies have further revealed the phase transformations and the wavefront dynamics associated with propagating chemical reactions. Many reactive multilayers (e.g., Co/Al) form product phases that are consistent with published equilibrium phase diagrams, yet a few systems, such as Pt/Al, develop metastable products. The final section highlights current and emerging applications of reactive multilayers. Examples include reactive Ni(V)/Al and Pd/Al multilayers which have been developed for localized soldering of heat-sensitive components.

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Supersonic flow over a finite-width rectangular cavity

AIAA Journal

Beresh, Steven J.; Wagner, Justin L.; Pruett, Brian; Henfling, John F.; Spillers, Russell

Two-component and stereoscopic particle image velocimetry measurements have been acquired in the streamwise plane for supersonic flow over a rectangular cavity of variable width, peering over the sidewall lip to view the depths of the cavity. The data reveal the turbulent shear layer over the cavity and the recirculation region within it. The mean position of the recirculation region was found to be a function of the length-to-width ratio of the cavity, as was the turbulence intensity within both the shear layer and the recirculation region. Compressibility effects were observed in which turbulence levels dropped, and the shear layer thickness decreased as the Mach number was raised from 1.5 to 2.0 and 2.5. Supplemental measurements in the crossplane and the planform view suggest that zones of high turbulence were affixed to each sidewall centered on the cavity lip, with a strip of turbulence stretched out across the cavity shear layer for which the intensity was a function of the length-to-width ratio. These sidewall features are attributed to spillage, which is greatly reduced for the narrowest cavity. Such effects cannot be found in experiments lacking finite spanwise extent.

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Speciation of technetium peroxo complexes in sulfuric acid revisited

Journal of Radioanalytical and Nuclear Chemistry

Poineau, Frederic; German, Konstantin E.; Burton-Pye, Benjamin P.; Weck, Philippe F.; Kim, Eunja; Kriyzhovets, Olga; Safonov, Aleksey; Ilin, Viktor; Francesconi, Lynn C.; Sattelberger, Alfred P.; Czerwinski, Kenneth R.

The reaction of Tc(+7) with H2O2 has been studied in H2SO4 and the speciation of technetium performed by UV–visible and 99-Tc NMR spectroscopy. UV–visible measurements show that for H2SO4 ≥ 9 M and H2O2 = 0.17 M, TcO3(OH)(H2O)2 reacts immediately and blue solutions are obtained, while no reaction occurs for H2SO4 < 9 M. The spectra of the blue solutions exhibit bands centered around 520 and 650 nm which are attributed to Tc(+7) peroxo species. Studies in 6 M H2SO4 show that TcO4− begins to react for H2O2 = 2.12 M and red solutions are obtained. The UV–visible spectra of the red species are identical to the one obtained from the reaction of TcO4− with H2O2 in HNO3 and consistent with the presence of TcO(O2)2(H2O)(OH). The 99-Tc NMR spectrum of the red solution exhibits a broad signal centered at +5.5 ppm vs TcO4− and is consistent with the presence of a low symmetry Tc(+7) molecule.

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The effect of gradients at stagnation on K-shell x-ray line emission in high-current Ar gas-puff implosions

Physics of Plasmas

Jones, Michael; Apruzese, J.P.; Harvey-Thompson, Adam J.; Ampleford, David J.; Jennings, Christopher A.; Hansen, Stephanie B.; Moore, Nathan W.; Lamppa, Derek C.; Johnson, Drew; Waisman, Eduardo M.; Coverdale, Christine A.; Cuneo, Michael E.; Rochau, G.A.; Giuliani, J.L.; Thornhill, J.W.; Ouart, N.D.; Chong, Y.K.; Velikovich, A.L.; Dasgupta, A.; Krishnan, M.; Coleman, P.L.

Argon gas puffs have produced 330kJ ± 9% of x-ray radiation above 3keV photon energy in fast z-pinch implosions, with remarkably reproducible K-shell spectra and power pulses. This reproducibility in x-ray production is particularly significant in light of the variations in instability evolution observed between experiments. Soft x-ray power measurements and K-shell line ratios from a time-resolved spectrum at peak x-ray power suggest that plasma gradients in these high-mass pinches may limit the K-shell radiating mass, K-shell power, and K-shell yield from high-current gas puffs.

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Material migration studies with an ITER first wall panel proxy on EAST

Nuclear Fusion

Wampler, William R.; Ding, R.; Pitts, R.A.; Borodin, D.; Carpentier, S.

The ITER beryllium (Be) first wall (FW) panels are shaped to protect leading edges between neighbouring panels arising from assembly tolerances. This departure from a perfectly cylindrical surface automatically leads to magnetically shadowed regions where eroded Be can be re-deposited, together with co-deposition of tritium fuel. To provide a benchmark for a series of erosion/re-deposition simulation studies performed for the ITER FW panels, dedicated experiments have been performed on the EAST tokamak using a specially designed, instrumented test limiter acting as a proxy for the FW panel geometry. Carbon coated molybdenum plates forming the limiter front surface were exposed to the outer midplane boundary plasma of helium discharges using the new Material and Plasma Evaluation System (MAPES). Net erosion and deposition patterns are estimated using ion beam analysis to measure the carbon layer thickness variation across the surface after exposure. The highest erosion of about 0.8 μm is found near the midplane, where the surface is closest to the plasma separatrix. No net deposition above the measurement detection limit was found on the proxy wall element, even in shadowed regions. The measured 2D surface erosion distribution has been modelled with the 3D Monte Carlo code ERO, using the local plasma parameter measurements together with a diffusive transport assumption. Excellent agreement between the experimentally observed net erosion and the modelled erosion profile has been obtained.

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The importance of experimental design on measurement of dynamic interfacial tension and interfacial rheology in diffusion-limited surfactant systems

Colloids and Surfaces A: Physicochemical and Engineering Aspects

Reichert, Matthew D.; Alvarez, Nicolas J.; Brooks, Carlton F.; Grillet, Anne M.; Mondy, Lisa A.; Anna, Shelley L.; Walker, Lynn M.

Pendant bubble and drop devices are invaluable tools in understanding surfactant behavior at fluid-fluid interfaces. The simple instrumentation and analysis are used widely to determine adsorption isotherms, transport parameters, and interfacial rheology. However, much of the analysis performed is developed for planar interfaces. The application of a planar analysis to drops and bubbles (curved interfaces) can lead to erroneous and unphysical results. We revisit this analysis for a well-studied surfactant system at air-water interfaces over a wide range of curvatures as applied to both expansion/contraction experiments and interfacial elasticity measurements. The impact of curvature and transport on measured properties is quantified and compared to other scaling relationships in the literature. The results provide tools to design interfacial experiments for accurate determination of isotherm, transport and elastic properties.

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Invited Review. Combustion instability in spray-guided stratified-charge engines. A review

International Journal of Engine Research

Dahms, Rainer N.U.

Our article reviews systematic research on combustion instabilities (principally rare, random misfires and partial burns) in spray-guided stratified-charge (SGSC) engines operated at part load with highly stratified fuel -air -residual mixtures. Results from high-speed optical imaging diagnostics and numerical simulation provide a conceptual framework and quantify the sensitivity of ignition and flame propagation to strong, cyclically varying temporal and spatial gradients in the flow field and in the fuel -air -residual distribution. For SGSC engines using multi-hole injectors, spark stretching and locally rich ignition are beneficial. Moreover, combustion instability is dominated by convective flow fluctuations that impede motion of the spark or flame kernel toward the bulk of the fuel, coupled with low flame speeds due to locally lean mixtures surrounding the kernel. In SGSC engines using outwardly opening piezo-electric injectors, ignition and early flame growth are strongly influenced by the spray's characteristic recirculation vortex. For both injection systems, the spray and the intake/compression-generated flow field influence each other. Factors underlying the benefits of multi-pulse injection are identified. Finally, some unresolved questions include (1) the extent to which piezo-SGSC misfires are caused by failure to form a flame kernel rather than by flame-kernel extinction (as in multi-hole SGSC engines); (2) the relative contributions of partially premixed flame propagation and mixing-controlled combustion under the exceptionally late-injection conditions that permit SGSC operation on E85-like fuels with very low NOx and soot emissions; and (3) the effects of flow-field variability on later combustion, where fuel-air-residual mixing within the piston bowl becomes important.

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The role of photo-osmotic adaptation in semi-continuous culture and lipid particle release from Dunaliella viridis

Journal of Applied Phycology

Davis, Ryan W.; Carvalho, Benjamin J.; Jones, Howland D.T.; Singh, Seema S.

Although great efforts have been made to elucidate the phenotypic responses of alga to varying levels of nutrients, osmotic environments, and photosynthetically active radiation intensities, the role of interactions among these variables is largely nebulous. Here, we describe a general method for establishing and maintaining semi-continuous cultures of the halophilic microalgal production strain, Dunaliella viridis, that is independent of variations in salinity and illumination intensity. Using this method, the cultures were evaluated to elucidate the overlapping roles of photosynthetic and osmotic adaptation on the accumulation and compositional variation of the biomass, photosynthetic productivity, and physiological biomarkers, as well as spectroscopic and morphological details at the single-cell level. Correlation matrices defining the relationships among the observables and based on variation of the illumination intensity and salinity were constructed for predicting bioproduct yields for varying culture conditions. Following maintenance of stable cultures for 6-week intervals, phenotypic responses to photo-osmotic drift were explored using a combination of single-cell hyperspectral fluorescence imaging and flow cytometry. In addition to morphological changes, release of lipid microparticles from the cells that is disproportionate to cell lysis was observed under hypotonic drift, indicating the existence of a reversible membrane permeation mechanism in Dunaliella. This phenomenon introduces the potential for low-cost strategies for recovering lipids and pigments from the microalgae by minimizing the requirement for energy intensive harvesting and dewatering of the biomass. The results should be applicable to outdoor culture, where seasonal changes resulting in variable solar flux and precipitation and evaporation rates are anticipated.

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Portable File Format (PFF) specifications

Foulk, James W.

Created at Sandia National Laboratories, the Portable File Format (PFF) allows binary data transfer across computer platforms. Although this capability is supported by many other formats, PFF files are still in use at Sandia, particularly in pulsed power research. This report provides detailed PFF specifications for accessing data without relying on legacy code.

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Inferring Organizational Structure from Behavior

Bauer, Travis L.; Brounstein, Tom R.

In this project, we researched new techniques for detecting hidden networks of individuals and institutions by introducing the use of temporal correlations among behaviors, leveraging both information sources and metadata. We validated the algorithms using the Wikipedia edit history. The rapid increase in crowd-sourced applications like Wikipedia is providing a rich set of data with both a record of behaviors and a set of direct interactions among individuals. Data sets with network ground truth are needed to develop and validate models, before applying them to national security settings where content and meta-data alone are available.

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Tierless Programming for the Internet of Things

Decker, Brett

The Internet of Things (IoT) is about Internet-addressability and connectivity for everyday devices. The goal of this project was to create a framework to allow developers to more easily control IoT devices and turn their interactions into meaningful applications. We leveraged a tierless approach for Software Defined Networking (SDN) to build this framework. We expanded Flowlog, a tierless programming language for SDN controllers, to support IoT devices developed by Spark IO to build this framework.

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Planning for the Electricity-Water Nexus

Sandia journal manuscript; Not yet accepted for publication

Tidwell, Vincent C.

Energy production requires water, while the conveyance, storage, and treatment of water requires energy—this is the energy-water nexus. The importance of this nexus has recently been highlighted by droughts reducing hydropower production, heat waves impacting stream water temperatures forcing nuclear and coal-fired power plants to suspend operations, floods and hurricanes damaging energy infrastructure, and the denial of new power plant permits due to limited water availability. All this while the energy intensity of the water sector is increasing as water is moved from more distant locations and increasing water treatment is required. Tackling this energy-water nexus will require significant coordination between water and energy managers from the local to the federal level.

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International Nuclear Safeguards at Sandia

Sternat, Matthew R.

As global nuclear energy expands, assuring peaceful uses of nuclear technology becomes increasingly important. In addition to complying with international nuclear safeguards, a responsible nuclear energy program promotes a corresponding safeguards culture. Establishment of transparent peaceful uses of nuclear technologies starts with cooperative international engagements and safeguards systems. Developing states investing in nuclear energy must assure the international community of their longterm commitment to safeguards, safety, and security (3S) of nuclear materials and technologies. Cultivating a safeguards culture starts in the initial phases of infrastructure planning and must be integrated into the process of developing a responsible nuclear energy program. Sandia National Laboratories supports the implementation of safeguards culture through a variety of activities, including infrastructure development.

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Nested Narratives Final Report

Wilson, Andrew T.; Pattengale, Nicholas D.; Forsythe, James C.; Carvey, Bradley J.

In cybersecurity forensics and incident response, the story of what has happened is the most important artifact yet the one least supported by tools and techniques. Existing tools focus on gathering and manipulating low-level data to allow an analyst to investigate exactly what happened on a host system or a network. Higher-level analysis is usually left to whatever ad hoc tools and techniques an individual may have developed. We discuss visual representations of narrative in the context of cybersecurity incidents with an eye toward multi-scale illustration of actions and actors. We envision that this representation could smoothly encompass individual packets on a wire at the lowest level and nation-state-level actors at the highest. We present progress to date, discuss the impact of technical risk on this project and highlight opportunities for future work.

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Geomechanical Simulation to Predict the Oil Leak at the Wellbores in Big Hill Strategic Petroleum Reserve

Rock mechanics and Rock Engineering

Park, Byoung; Herrick, Courtney G.

Oil leaks were found in wellbores of Caverns 105 and 109 at the Big Hill Strategic Petroleum Reserve site. According to the field observations, two instances of casing damage occurred at the depth of the interbed between the caprock bottom and salt top. A three dimensional finite element model, which contains wellbore element blocks and allows each cavern to be configured individually, is constructed to investigate the wellbore damage mechanism. The model also contains element blocks to represent interface between each lithology and a shear zone to examine the interbed behavior in a realistic manner. The causes of the damaged casing segments are a result of vertical and horizontal movements of the interbed between the caprock and salt dome. The salt top subsides because the volume of caverns below the salt top decrease with time due to salt creep closure, while the caprock subsides at a slower rate because the caprock is thick and stiffer. This discrepancy produces a deformation of the well. The deformed wellbore may fail at some time. An oil leak occurs when the wellbore fails. A possible oil leak date of each well is determined using an equivalent plastic strain failure criterion. A well grading system for a remediation plan is developed based on the predicted leak dates of each wellbore.

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Java Source Code Analysis for API Migration to Embedded Systems

Sandia journal manuscript; Not yet accepted for publication

Winter, Victor; Mccoy, James A.; Guerrero, Jonathan; Reinke, Carl W.; Perry, James T.

Embedded systems form an integral part of our technological infrastructure and oftentimes play a complex and critical role within larger systems. From the perspective of reliability, security, and safety, strong arguments can be made favoring the use of Java over C in such systems. In part, this argument is based on the assumption that suitable subsets of Java’s APIs and extension libraries are available to embedded software developers. In practice, a number of Java-based embedded processors do not support the full features of the JVM. For such processors, source code migration is a mechanism by which key abstractions offered by APIs and extension libraries can made available to embedded software developers. The analysis required for Java source code-level library migration is based on the ability to correctly resolve element references to their corresponding element declarations. A key challenge in this setting is how to perform analysis for incomplete source-code bases (e.g., subsets of libraries) from which types and packages have been omitted. This article formalizes an approach that can be used to extend code bases targeted for migration in such a manner that the threats associated the analysis of incomplete code bases are eliminated.

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Field-scale Thermal Testing in a Generic Salt Disposal Environment Underground Research Laboratory (URL): Delineation of Principal Purpose Objectives and Hypotheses

Sassani, David C.; Hardin, Ernest; Kuhlman, Kristopher L.; Mackinnon, Robert J.

The amount of brine present in domal salt formation is far less than in bedded salts (e.g., 0.01 to 0.1% compared with 1 to 3%). In salt domes, shear deformation associated with diapirism has caused existing brine to coalesce, leading to flow and expulsion. Brine migration behavior was investigated in bedded salt at WIPP (Nowak and McTigue 1987, SAND87-0880), and in domal salt at Asse (Coyle et al. 1987, BMI/ONWI-624). Test methods were not standardized, and the tests involved large diameter boreholes (17 to 36 in. diameter) and large apparatus. The tested intervals were proximal to mined openings (within approximately 1 diameter) where in situ stresses are redistributed due to excavation. The tests showed that (1) brine inflow rates can range over at least 2 orders of magnitude for domal vs. bedded salt, (2) that brine inflow is strongly associated with clay and interbedded permeable layers in bedded salt, and (3) that measurement systems can readily collect very small quantities of moisture over time frames of 2 years or longer. Brine inflow rates declined slightly with time in both test series, but neither series approached a state of apparent depletion. This range of flow magnitude could be significant to repository design and performance assessment, especially if inflow rates can be predicted using stratigraphic and geomechanical inputs, and can be shown to approach zero in a predictable manner.

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Open Collaboration and Research Capabilities on the LVOC/CREATE/High Performance Computing Innovation Center

Mcilroy, Andrew

While Lawrence Livermore National Laboratory (LLNL) and Sandia National Laboratories (SNL) have remained committed to their core nuclear weapons (NW) mission, the world has changed greatly since the opening of these national labs in the mid-20th century. During this era, U.S. universities were ranked as the top science centers in the world in essentially all fields, and the national laboratories were able to recruit the top graduates - who were predominantly U.S. citizens - from the nation's best academic institutions.

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Effects of Stopping Ions and LET Fluctuations on Soft Error Rate Prediction

IEEE Transactions on Nuclear Science

Weeden-Wright, S.L.; King, Michael P.; Hooten, N.C.; Bennett, W.G.; Sierawski, B.D.; Schrimpf, R.D.; Weller, R.A.; Reed, R.A.; Mendenhall, M.H.; Fleetwood, D.M.; Alles, M.L.; Baumann, R.C.

Variability in energy deposition from stopping ions and LET fluctuations is quantified for specific radiation environments. When compared to predictions using average LET via CREME96, LET fluctuations lead to an order-of-magnitude difference in effective flux and a nearly 4x decrease in predicted soft error rate (SER) in an example calculation performed on a commercial 65 nm SRAM. The large LET fluctuations reported here will be even greater for the smaller sensitive volumes that are characteristic of highly scaled technologies. End-of-range effects of stopping ions do not lead to significant inaccuracies in radiation environments with low solar activity unless the sensitivevolume thickness is 100 μm or greater. In contrast, end-of-range effects for stopping ions lead to significant inaccuracies for sensitive- volume thicknesses less than 10 μm in radiation environments with high solar activity.

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Nitrogen Monitoring of West Hackberry 117 Cavern Wells

Bettin, Giorgia; Lord, David

U.S. Strategic Petroleum Reserve (SPR) oil storage cavern West Hackberry 117 was tested under extended nitrogen monitoring following a successful mechanical integrity test in order to validate a newly developed hydrostatic column model to be used to differentiate between normal "tight" well behavior and small-leak behavior under nitrogen. High resolution wireline pressure and temperature data were collected during the test period and used in conjunction with the hydrostatic column model to predict the nitrogen/oil interface and the pressure along the entire fluid column from the bradenhead flange nominally at ground surface to bottom of brine pool. Results here and for other SPR caverns have shown that wells under long term nitrogen monitoring do not necessarily pressurize with a relative rate (P N2 /P brine) of 1. The theoretical relative pressure rate depends on the well configuration, pressure and the location of the nitrogen-oil interface and varies from well to well. For the case of WH117 the predicted rates were 0.73 for well A and 0.92 for well B. The measured relative pressurization rate for well B was consistent with the model prediction, while well A rate was found to be between 0.58-0.68. A number of possible reasons for the discrepancy between the model and measured rates of well A are possible. These include modeling inaccuracy, measurement inaccuracy or the possibility of the presence of a very small leak (below the latest calculated minimum detectable leak rate).

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Algorithm Improvement Program Nuclide Identification Algorithm Scoring Criteria And Scoring Application - DNDO

Enghauser, Michael W.

The goal of the Domestic Nuclear Detection Office (DNDO) Algorithm Improvement Program (AIP) is to facilitate gamma-radiation detector nuclide identification algorithm development, improvement, and validation. Accordingly, scoring criteria have been developed to objectively assess the performance of nuclide identification algorithms. In addition, a Microsoft Excel spreadsheet application for automated nuclide identification scoring has been developed. This report provides an overview of the equations, nuclide weighting factors, nuclide equivalencies, and configuration weighting factors used by the application for scoring nuclide identification algorithm performance. Furthermore, this report presents a general overview of the nuclide identification algorithm scoring application including illustrative examples.

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Cure shrinkage in casting resins

Spencer, J.B.

A method is described whereby the shrinkage of a casting resin can be determined. Values for the shrinkage of several resin systems in frequent use by Sandia have been measured. A discussion of possible methods for determining the stresses generated by cure shrinkage and thermal contraction is also included.

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A low-density potting compound

Quant, A.J.

A combined total of 4 years development effort and production experience has conclusively proven the value of a glass-microballoon-filled epoxy resin system in potting applications where weight saving, without a drastic sacrifice in physical properties, or resistance to high-level mechanical shock is a prime requirement.

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Acceptance Equipment System Data Acquisition and Processing Utility

Fakhro, Rowan

My internship at Sandia National Laboratories took place in the Department of Sensors and Embedded Systems, which is tasked with, among many things, the non-destructive testing of thermal batteries. The Acceptance Equipment System (AES) is a flexible rack system designed to electrically test thermal batteries individually for internal defects before they are stored in the battery stock pile. Aside from individual testing, data acquired by the AES is used for many things including trending and catching outliers within the tolerance levels of a particular battery type, allowing for the development of more refined acceptance requirements and testing procedures.

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KAYENTA: Theory and User's Guide

Brannon, Rebecca M.; Fuller, Timothy J.; Strack, Otto E.; Fossum, Arlo F.; Sanchez, Jason J.

The physical foundations and domain of applicability of the Kayenta constitutive model are presented along with descriptions of the source code and user instructions. Kayenta, which is an outgrowth of the Sandia GeoModel, includes features and fitting functions appropriate to a broad class of materials including rocks, rock-like engineered materials (such as concretes and ceramics), and metals. Fundamentally, Kayenta is a computational framework for generalized plasticity models. As such, it includes a yield surface, but the term (3z(Byield(3y (Bis generalized to include any form of inelastic material response (including microcrack growth and pore collapse) that can result in non-recovered strain upon removal of loads on a material element. Kayenta supports optional anisotropic elasticity associated with joint sets, as well as optional deformation-induced anisotropy through kinematic hardening (in which the initially isotropic yield surface is permitted to translate in deviatoric stress space to model Bauschinger effects). The governing equations are otherwise isotropic. Because Kayenta is a unification and generalization of simpler models, it can be run using as few as 2 parameters (for linear elasticity) to as many as 40 material and control parameters in the exceptionally rare case when all features are used. For high-strain-rate applications, Kayenta supports rate dependence through an overstress model. Isotropic damage is modeled through loss of stiffness and strength.

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From Radtrack to eMWaste(r) G2 process-based integration

Bland, Jesse J.

This paper provides a process-based examination of the integration of two separate but related software applications into Sandia National Laboratories’ (SNL’s) Radioactive and Mixed Waste Management Facility’s (RMWMF) data management system. First, data collection will be upgraded through the use of a new web-based Waste Description and Disposal Request (WDDR), which SNL personnel whose work creates radioactive and hazardous waste (generators) will use to characterize dozens of specific attributes of each waste parcel. Second, a commercial software package for data storage and manipulation — eMWaste® G2 by Attention IT — will replace two existing software applications and will track all radioactive and mixed waste at Sandia. Integrating these applications into a web-based system will give the RMWMF increased system flexibility, reduced reliance on key personnel, and improved document control, traceability and efficiency. To meet these goals and ensure the applications are developed in an efficient, quality-oriented environment, it is critical to first conduct a thorough evaluation of the affected processes. This paper will analyze the processes supported by the new applications and the requirements for a successful integration. A comprehensive analysis of both project flow and data management requirements, illustrated through original flow diagrams and other charts, will provide support to the development team and programmers as they work to integrate the applications into the new system.

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V&V Framework Part 1 Release

Hills, Richard G.; Maniaci, David C.; Naughton, Jonathan

The objective of this document is to accurately predict, assess and optimize wind plant performance utilizing High Performance Modeling (HPC) tools developed in a community-based, open-source simulation environment to understand and accurately predict the fundamental physics and complex flows of the atmospheric boundary layer, interaction with the wind plant, as well as the response of individual turbines to the complex flows within that plant

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Design Fabrication and Characterization of High Density Silicon Photonic Components

Jones, Adam

Our burgeoning appetite for data relentlessly demands exponential scaling of computing and communications resources leading to an overbearing and ever-present drive to improve e ciency while reducing on-chip area even as photonic components expand to ll application spaces no longer satis ed by their electronic counterparts. With a high index contrast, low optical loss, and compatibility with the CMOS fabrication infrastructure, silicon-on-insulator technology delivers a mechanism by which e cient, sub-micron waveguides can be fabricated while enabling monolithic integration of photonic components and their associated electronic infrastructure. The result is a solution leveraging the superior bandwidth of optical signaling on a platform capable of delivering the optical analogue to Moore's Law scaling of transistor density. Device size is expected to end Moore's Law scaling in photonics as Maxwell's equations limit the extent to which this parameter may be reduced. The focus of the work presented here surrounds photonic device miniaturization and the development of 3D optical interconnects as approaches to optimize performance in densely integrated optical interconnects. In this dissertation, several technological barriers inhibiting widespread adoption of photonics in data communications and telecommunications are explored. First, examination of loss and crosstalk performance in silicon nitride over SOI waveguide crossings yields insight into the feasibility of 3D optical interconnects with the rst experimental analysis of such a structure presented herein. A novel measurement platform utilizing a modi ed racetrack resonator is then presented enabling extraction of insertion loss data for highly e cient structures while requiring minimal on-chip area. Finally, pioneering work in understanding the statistical nature of doublet formation in microphotonic resonators is delivered with the resulting impact on resonant device design detailed.

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IDC Use Case Model Survey Version 1.1

Harris, James M.; Carr, Dorthe B.

This document contains the brief descriptions for the actors and use cases contained in the IDC Use Case Model. REVISIONS Version Date Author/Team Revision Description Authorized by V1.0 12/2014 SNL IDC Reengineering Project Team Initial delivery M. Harris V1.1 2/2015 SNL IDC Reengineering Project Team Iteration I2 Review Comments M. Harris

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IDC System Specification Document Version 1.1

Harris, James M.; Lober, Randall R.

This document contains the system specifications derived to satisfy the system requirements found in the IDC System Requirements Document for the IDC Reengineering Phase 2 project. Revisions Version Date Author/Team Revision Description Authorized by V1.0 12/2014 IDC Reengineering Project Team Initial delivery M. Harris V1.1 2/2015 IDC Reengineering Project Team Iteration I2 Review Comments M. Harris

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LiF dissolution by anion-binding-agent in LiCFx battery systems: Lower ohmic and interfacial resistance

Journal of the Electrochemical Society

Nagasubramanian, Ganesan; Fenton, Kyle R.

In this paper we will discuss our preliminary thermal and electrochemical data aimed at developing a robust nonflammable Li-CFx cell capable of wide temperature operation. To accomplish this goal, we are evaluating a thermally stable solvent comprised of an anion binding agent (ABA) and lithium fluoride (LiF), typically at a 1:1 molar ratio. In conventional carbonate based electrolytes, ABA is soluble while LiF remains insoluble. However, the neutral ABA solubilizes LiF and forms a salt complex represented as Li+(ABAF-). We are exploiting this unique feature and apply this strategy to CFx chemistry to improve cell performance, due to the CFx cell chemistry generating LiF as discharge product. Continuous solvation of the salt mixture during discharge allows for utilization of electrolytes initially containing sub stoichiometric amount of LiF. The practical benefits are reduced cell weight, mitigation of electrode fouling, and consequently better low temperature performance. Electrolytes containing dimethyl methyl phosphonate (DMMP), 1M tris(pentafluorophenyl) borane (TPFB) and varying concentrations of LiF (1M; 0.5M and 0.1M) were prepared and characterized for ionic conductivity and voltage stability. In general, ionic conductivity decreases with decreasing LiF concentration. The room temperature conductivity for the DMMP 1M TPFB:1M LiF is ~ 9mS/cm and ~3mS/cm for the 1M TPFB:0.1M LiF. Unlike the conductivity, the electrochemical voltage stability did not vary substantially with LiF concentration and the electrolytes showed a stable voltage window in the range 0-3.5V vs. Li+/Li, which is substantially wider than the Li-CFx cell voltage. Flammability measurement performed at our thermal abuse facility demonstrated that the electrolyte was nonflammable. Discharge performance of CFx materials obtained from several vendors was evaluated in 2032 coin cells at room temperature. Experimental results demonstrate a reduction in ohmic resistance and interfacial resistance during discharge for a cell containing lower concentrations of added LiF compared to ABA. These observations are a direct demonstration that the unbound ABA in the electrolyte dissolves the LiF generated in the discharge reaction.

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Thermal Diffusivity and Specific Heat Measurements of Titanium Potassium Perchlorate Titanium Subhydride Potassium Perchlorate 9013 Glass 7052 Glass SB-14 Glass and C-4000 Muscovite Mica Using the Flash Technique

Specht, Paul E.; Cooper, Marcia

The flash technique was used to measure the thermal diffusivity and specific heat of titanium potassium perchlorate (TKP) ignition powder (33wt% Ti - 67wt% KP) with Ventron sup- plied titanium particles, TKP ignition powder (33wt% Ti - 67wt% KP) with ATK supplied titanium particles, TKP output powder (41wt% Ti - 59wt% KP), and titanium subhydride potassium perchlorate (THKP) (33wt% TiH 1.65 - 67wt% KP) at 25°C. The influence of density and temperature on the thermal diffusivity and specific heat of TKP with Ventron supplied titanium particles was also investigated. Lastly, the thermal diffusivity and specific heats of 9013 glass, 7052 glass, SB-14 glass, and C-4000 Muscovite mica are presented as a function of temperature up to 300° C.

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A Statistical Perspective on Highly Accelerated Testing

Thomas, Edward V.

Highly accelerated life testing has been heavily promoted at Sandia (and elsewhere) as a means to rapidly identify product weaknesses caused by flaws in the product's design or manufacturing process. During product development, a small number of units are forced to fail at high stress. The failed units are then examined to determine the root causes of failure. The identification of the root causes of product failures exposed by highly accelerated life testing can instigate changes to the product's design and/or manufacturing process that result in a product with increased reliability. It is widely viewed that this qualitative use of highly accelerated life testing (often associated with the acronym HALT) can be useful. However, highly accelerated life testing has also been proposed as a quantitative means for "demonstrating" the reliability of a product where unreliability is associated with loss of margin via an identified and dominating failure mechanism. It is assumed that the dominant failure mechanism can be accelerated by changing the level of a stress factor that is assumed to be related to the dominant failure mode. In extreme cases, a minimal number of units (often from a pre-production lot) are subjected to a single highly accelerated stress relative to normal use. If no (or, sufficiently few) units fail at this high stress level, some might claim that a certain level of reliability has been demonstrated (relative to normal use conditions). Underlying this claim are assumptions regarding the level of knowledge associated with the relationship between the stress level and the probability of failure. The primary purpose of this document is to discuss (from a statistical perspective) the efficacy of using accelerated life testing protocols (and, in particular, "highly accelerated" protocols) to make quantitative inferences concerning the performance of a product (e.g., reliability) when in fact there is lack-of-knowledge and uncertainty concerning the assumed relationship between the stress level and performance. In addition, this document contains recommendations for conducting more informative accelerated tests.

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General Purpose Graphics Processing Unit Based High-Rate Rice Decompression and Reed-Solomon Decoding

Loughry, Thomas A.

As the volume of data acquired by space-based sensors increases, mission data compression/decompression and forward error correction code processing performance must likewise scale. This competency development effort was explored using the General Purpose Graphics Processing Unit (GPGPU) to accomplish high-rate Rice Decompression and high-rate Reed-Solomon (RS) decoding at the satellite mission ground station. Each algorithm was implemented and benchmarked on a single GPGPU. Distributed processing across one to four GPGPUs was also investigated. The results show that the GPGPU has considerable potential for performing satellite communication Data Signal Processing, with three times or better performance improvements and up to ten times reduction in cost over custom hardware, at least in the case of Rice Decompression and Reed-Solomon Decoding.

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Evaluation of various interpolants available in DICE

Turner, D.Z.; Reu, P.L.; Crozier, Paul

This report evaluates several interpolants implemented in the Digital Image Correlation Engine (DICe), an image correlation software package developed by Sandia. By interpolants we refer to the basis functions used to represent discrete pixel intensity data as a continuous signal. Interpolation is used to determine intensity values in an image at non - pixel locations. It is also used, in some cases, to evaluate the x and y gradients of the image intensities. Intensity gradients subsequently guide the optimization process. The goal of this report is to inform analysts as to the characteristics of each interpolant and provide guidance towards the best interpolant for a given dataset. This work also serves as an initial verification of each of the interpolants implemented.

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DOE/EPRI Electricity Storage Handbook in Collaboration with NRECA

Huff, Georgianne; Akhil, Abbas A.; Kaun, Benjamin C.; Rastler, Dan M.; Chen, Stella B.; Cotter, Andrew L.; Bradshaw, Dale T.; Gauntlett, William D.; Currier, Aileen B.

The Electricity Storage Handbook (Handbook) is a how - to guide for utility and rural cooperative engineers, planners, and decision makers to plan and implement energy storage projects. The Handbook also serves as an information resource for investors and venture capitalists, providing the latest developments in technologies and tools to guide their evaluation s of energy storage opportunities. It includes a comprehensive database of the cost of current storage systems in a wide variety of electric utility and customer services, along with interconnection schematics. A list of significant past and present energy storage projects is provided for a practical perspective . This Handbook, jointly sponsored by the U.S. Department of Energy and the Electric Power Research Institute in collaboration with the National Rural Electric Cooperative Association, is published in electronic form at www.sandia.gov/ess. This Handbook is best viewed online.

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Results 49401–49600 of 99,299
Results 49401–49600 of 99,299