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Metal Nitride Electrode Stress and Chemistry Effects on Phase and Polarization Response in Ferroelectric Hf0.5Zr0.5O2 Thin Films

Advanced Materials Interfaces

Fields, Shelby S.; Smith, Sean W.; Fancher, Chris M.; Henry, Michael D.; Wolfley, Steven L.; Sales, Maria G.; Jaszewski, Samantha T.; Rodriguez, Mark A.; Esteves, Giovanni E.; Davids, Paul D.; Mcdonnell, Stephen J.; Ihlefeld, Jon F.

Ferroelectric phase stability in hafnium oxide is reported to be influenced by factors that include composition, biaxial stress, crystallite size, and oxygen vacancies. In the present work, the ferroelectric performance of atomic layer deposited Hf0.5Zr0.5O2 (HZO) prepared between TaN electrodes that are processed under conditions to induce variable biaxial stresses is evaluated. The post-processing stress states of the HZO films reveal no dependence on the as-deposited stress of the adjacent TaN electrodes. All HZO films maintain tensile biaxial stress following processing, the magnitude of which is not observed to strongly influence the polarization response. Subsequent composition measurements of stress-varied TaN electrodes reveal changes in stoichiometry related to the different preparation conditions. HZO films in contact with Ta-rich TaN electrodes exhibit higher remanent polarizations and increased ferroelectric phase fractions compared to those in contact with N-rich TaN electrodes. HZO films in contact with Ta-rich TaN electrodes also have higher oxygen vacancy concentrations, indicating that a chemical interaction between the TaN and HZO layers ultimately impacts the ferroelectric orthorhombic phase stability and polarization performance. The results of this work demonstrate a necessity to carefully consider the role of electrode processing and chemistry on performance of ferroelectric hafnia films.

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Radiation Effects in Advanced and Emerging Nonvolatile Memories

IEEE Transactions on Nuclear Science

Marinella, Matthew J.

Despite hitting major roadblocks in 2-D scaling, NAND flash continues to scale in the vertical direction and dominate the commercial nonvolatile memory market. However, several emerging nonvolatile technologies are under development by major commercial foundries or are already in small volume production, motivated by storage-class memory and embedded application drivers. These include spin-transfer torque magnetic random access memory (STT-MRAM), resistive random access memory (ReRAM), phase change random access memory (PCRAM), and conductive bridge random access memory (CBRAM). Emerging memories have improved resilience to radiation effects compared to flash, which is based on storing charge, and hence may offer an expanded selection from which radiation-tolerant system designers can choose from in the future. This review discusses the material and device physics, fabrication, operational principles, and commercial status of scaled 2-D flash, 3-D flash, and emerging memory technologies. Radiation effects relevant to each of these memories are described, including the physics of and errors caused by total ionizing dose, displacement damage, and single-event effects, with an eye toward the future role of emerging technologies in radiation environments.

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Radiation Effects in Advanced and Emerging Nonvolatile Memories

IEEE Transactions on Nuclear Science

Marinella, Matthew J.

Despite hitting major roadblocks in 2-D scaling, NAND flash continues to scale in the vertical direction and dominate the commercial nonvolatile memory market. However, several emerging nonvolatile technologies are under development by major commercial foundries or are already in small volume production, motivated by storage-class memory and embedded application drivers. These include spin-transfer torque magnetic random access memory (STT-MRAM), resistive random access memory (ReRAM), phase change random access memory (PCRAM), and conductive bridge random access memory (CBRAM). Emerging memories have improved resilience to radiation effects compared to flash, which is based on storing charge, and hence may offer an expanded selection from which radiation-tolerant system designers can choose from in the future. This review discusses the material and device physics, fabrication, operational principles, and commercial status of scaled 2-D flash, 3-D flash, and emerging memory technologies. Radiation effects relevant to each of these memories are described, including the physics of and errors caused by total ionizing dose, displacement damage, and single-event effects, with an eye toward the future role of emerging technologies in radiation environments.

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Modelling yield cap evolution in sandstone based on brittle creep experiments

International Journal of Rock Mechanics and Mining Sciences

Choens, Robert C.; Bauer, Stephen J.; Shalev, E.; Lyakhovsky, V.

The Zenifim Formation is being considered as a potential disposal formation for a deep borehole nuclear repository concept in Israel. Site selection and repository construction are intended to ensure that waste is separated from circulating groundwater, but long-term deformation of the wellbore could potentially create fluid flow pathways. To understand how time-dependent rock strength could affect wellbore stability, we conducted creep tests under low to moderate confining pressures on retrieved core from the Zenifim formation. During creep, samples strain slowly as gradual damage accumulation progressively weakens the samples. Failure eventually occurred through the near-instantaneous formation of a shear fracture. Experimental results were used to calibrate a continuum damage poro-elastic model for sandstones. The calibrated damage-poro-elastic model successfully simulates different types of loading experiments including quasi-static and creep. The state of strain in experiments is close to yield during loading as the yield cap continuously evolves with damage accumulation. For creep tests, most damage occurs during triaxial loading. Minor damage accumulation occurs under constant load until the final stage of creep, where damage accelerates and promotes unstable fracturing.

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Analytical Action Level Calculator in Turbo FRMAC (FY2020 Close-Out) [Slides]

Fournier, Sean D.; Cochran, Lainy D.; Hunt, Brian D.; Laiche, Thomas P.

Objectives: Automate the labor-intensive process of generating Analytical Action Levels (AALs) in Turbo FRMAC to shorten the timeline for planning sampling campaigns and sample analysis during a response. Make the tool output results in a format that is easily imported to RadResponder as a Mixture for use in Analysis Request Forms. Deliver training to EPA on using this new tool in Turbo FRMAC (Delayed due to COVID.

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Xyce™ XDM Netlist Translator User Guide (V.2.3)

Templet, Gary J.; Ng, Garrick N.; Schiek, Richard S.; Sholander, Peter E.; Verley, Jason V.

This manual describes the installation and use of the Xyce™ XDM Netlist Translator. XDM simplifies the translation of netlists generated by commercial circuit simulator tools into Xyce-compatible netlists. XDM currently supports translation from PSpice, HSPICE, and Spectre netlists into Xyce™ netlists.

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Interpreting write performance of supercomputer I/O systems with regression models

Proceedings - 2021 IEEE 35th International Parallel and Distributed Processing Symposium, IPDPS 2021

Xie, Bing; Tan, Zilong; Carns, Philip; Chase, Jeff; Harms, Kevin; Lofstead, Gerald F.; Oral, Sarp; Vazhkudai, Sudharshan S.; Wang, Feiyi

This work seeks to advance the state of the art in HPC I/O performance analysis and interpretation. In particular, we demonstrate effective techniques to: (1) model output performance in the presence of I/O interference from production loads; (2) build features from write patterns and key parameters of the system architecture and configurations; (3) employ suitable machine learning algorithms to improve model accuracy. We train models with five popular regression algorithms and conduct experiments on two distinct production HPC platforms. We find that the lasso and random forest models predict output performance with high accuracy on both of the target systems. We also explore use of the models to guide adaptation in I/O middleware systems, and show potential for improvements of at least 15% from model-guided adaptation on 70% of samples, and improvements up to 10 × on some samples for both of the target systems.

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3-D Full-Band Monte Carlo Simulation of Hot-Electron Energy Distributions in Gate-All-Around Si Nanowire MOSFETs

IEEE Transactions on Electron Devices

Reaz, Mahmud; Tonigan, Andrew M.; Li, Kan; Smith, Brandon S.; Rony, Mohammed W.; Gorchichko, Mariia; O'Hara, Andrew; Linten, Dimitri; Mitard, Jerome; Fang, Jingtian; Zhang, En X.; Alles, Michael L.; Weller, Robert A.; Fleetwood, Daniel M.; Reed, Robert S.; Pantelides, Sokrates T.; Weeden-Wright, Stephanie L.; Schrimpf, Ronald D.

The energy distributions of electrons in gate-all-around (GAA) Si MOSFETs are analyzed using full-band 3-D Monte Carlo (MC) simulations. Excellent agreement is obtained with experimental current–voltage characteristics. For these 24-nm gate length devices, the electron distribution features a smeared energy peak with an extended tail. This extension of the tail results primarily from the Coulomb scattering within the channel. A fraction of electrons that enter the drain retains their energy, resulting in an out-of-equilibrium distribution in the drain region. The simulated density and average energy of the hot electrons correlate well with experimentally observed device degradation. We propose that the interaction of high-energy electrons with hydrogen-passivated phosphorus dopant complexes within the drain may provide an additional pathway for interface-trap formation in these devices.

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Townsend to glow discharge transition for a nanosecond pulse plasma in helium: Space charge formation and resulting electric field dynamics

Plasma Sources Science and Technology

Barnat, Edward V.

Stark polarization spectroscopy is used to investigate the temporal evolution of the electric field distribution in the cathode region of a nanosecond pulsed discharge in helium at 120 Torr. The measurements are performed on the He I transition at 492.19 nm, during the early stages of the discharge formation. The experimental results are compared with the predictions of a 1D fluid model. Time-resolved ICCD images show that the discharge develops as a diffuse, cathode-directed ionization wave with a Townsend-like feature before transitioning into a glow-like structure. Near anode instabilities characterized by filament formation were observed near the high voltage electrode. Within 30 ns, a reduction of the sheath thickness to about 250 μm is observed, coinciding with a gradual increase of the discharge current and proportional increase in electric field at the cathode. The cathode electric field corresponding to this sheath with a thickness of 250 μm is about 40 kV cm-1. A subsequent steep increase of the discharge current leads to a further reduction of the sheath width. The electric field evolution as obtained by the fluid model is in excellent agreement with the measurements and shows that an enhanced ionization near the cathode is causing the space charge formation responsible for the increase in electric field.

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Determining the electrical conductivity of metals using the 2 MA Thor pulsed power driver

Review of Scientific Instruments

Porwitzky, Andrew J.; Cochrane, Kyle C.; Stoltzfus, Brian S.

We present the development of a pulsed power experimental technique to infer the electrical conductivity of metals from ambient to high energy density conditions. The method is implemented on Thor, a moderate scale (1-2 MA) pulsed power driver. The electrical conductivity of copper at elevated temperature (>4000 K) and pressure (>10 GPa) is determined, and a new tabular material model is developed, guided by density functional theory, which preserves agreement with existing experimental data. Minor modifications (<10%) are found to be necessary to the previous Lee-More-Desjarlais model isotherms in the vicinity of the melt transition in order to account for observed discrepancies with the new experimental data. An analytical model for magnetic direct drive flyer acceleration and Joule heating induced vaporization based on the Tsiolkovsky "rocket equation"is presented to assess sensitivity of the method to minor changes in electrical conductivity.

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Validation and Comparison of HyRAM Physics Models

Ehrhart, Brian D.; Hecht, Ethan S.; Mohmand, Jamal A.

The Hydrogen Risk Assessment Models (HyRAM) software version 3 uses a real gas equation of state rather than the Abel-Noble equation of state that is used in 2.0 and previous versions. This change enables the use of HyRAM 3 for cryogenic hydrogen flows, whereas the Abel-Noble equation of state is not accurate at low temperatures. HyRAM 3.1 results were compared to experimental data from the literature in order to demonstrate the accuracy of the physics models. HyRAM 3.1 results were also compared to HyRAM 2.0 for high-pressure, non-cryogenic flows to highlight the differences in predictions between the two major versions of HyRAM. Validation data sets are from multiple groups and span the range of HyRAM physics models, including tank blowdown, unignited dispersion jet plume, ignited jet flame, and accumulation and overpressure inside an enclosure. Both versions 2.0 and 3.1 of HyRAM are accurate for predictions of blowdowns, diffusion jets, and diffusion flames of hydrogen at pressures up to 900 bar, and HyRAM 3.1 also shows good agreement with cryogenic hydrogen data. Overall, HyRAM 3.1 improves on the accuracy of the physical models relative to HyRAM 2.0. In most cases, this reduces the conservatism in risk calculations using HyRAM.

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Hydrogen Risk Assessment Models (HyRAM) (V.3.1) (Technical Reference Manual)

Ehrhart, Brian D.; Hecht, Ethan S.

The HyRAM software toolkit provides a basis for conducting quantitative risk assessment and consequence modeling for hydrogen infrastructure and transportation systems. HyRAM is designed to facilitate the use of state-of-the-art science and engineering models to conduct robust, repeatable assessments of hydrogen safety, hazards, and risk. HyRAM includes generic probabilities for hydrogen equipment failures, probabilistic models for the impact of heat flux on humans and structures, and experimentally validated first-order models of hydrogen release and flame physics. HyRAM integrates deterministic and probabilistic models for quantifying accident scenarios, predicting physical effects, and characterizing hydrogen hazards (thermal effects from jet res, overpressure effects from deflagrations), and assessing impact on people and structures. HyRAM is developed at Sandia National Laboratories for the U.S. Department of Energy to increase access to technical data about hydrogen safety and to enable the use of that data to support development and revision of national and international codes and standards. HyRAM is a research software in active development and thus the models and data may change. This report will be updated at appropriate developmental intervals. This document provides a description of the methodology and models contained in HyRAM version 3.1. There have been several impactful updates since version 3.0. HyRAM 3.1 contains a correction to use the volume fraction for two-phase speed of sound calculations; this only affects cryogenic releases in which two-phase ow (vapor and liquid) is predicted in the orifice. Other changes include clarifications that inputs for tank pressure should be given in absolute pressure, not gauge pressure. Additionally, the interface now rejects invalid inputs to probability distributions, and the less accurate single-point radiative source model selection was removed from the interface.

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Performance Metrics to Evaluate Utility Resilience Investments

Broderick, Robert J.; Jeffers, Robert F.; Garcia, Brooke M.; Kallay, Jennifer; Hopkins, Asa; Napoleon, Alice; Havumaki, Ben; Hall, Jamie; Odom, Caitlin; Whited, Melissa; Woolf, Tim; Chang, Max

In 2019, Sandia National Laboratories (Sandia) contracted Synapse Energy Economics (Synapse) to research the integration of community and electric grid resilience investment planning as part of the Designing Resilient Communities (DRC): A Consequence-Based Approach for Grid Investment project. Synapse produced a series of reports to explore the challenges and opportunities in several key areas, including benefit-cost analysis (BCA), performance metrics, microgrids, and regulatory mechanisms. This report focuses on BCA. BCA is an approach that electric utilities, electric utility regulators, and communities can use to evaluate the costs and benefits of a wide range of grid resilience investments in a comprehensive and consistent way. While BCA is regularly applied to some types of grid investments, application of BCA to grid resilience investments is in the early stages of development. Though resilience is increasingly cited in connection with grid investment proposals and plans, the resilience- related costs and benefits of grid resilience investments are typically not fully identified, infrequently quantified, and almost never monetized. Without complete assessments of costs and benefits, regulators can be hesitant to approve some types of grid resilience investments. This report provides the first application of the framework developed in the 2020 National Standard Practice Manual for Benefit-Cost Analysis of Distributed Energy Resources (NSPM for DERs) to grid resilience investments. We provide guidance on next steps for implementation to enable grid resilience investments to receive due consideration. We suggest developing BCA principles and standards for jurisdiction-specific BCA tests. We also recommend identifying the resilience impacts of the investments and quantification of these impacts by establishing utility performance metrics for resilience. Proactive integration of grid resilience investments into existing regulatory processes and practices can increase the capacity of jurisdictions to respond to and recover from the consequences of extreme events. 1 National Energy Screening Project. 2020. National Standard Practice Manual for Benefit-Cost Analysis of Distributed Energy Resources.

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Grain growth of nanocrystalline aluminum under tensile deformation: A combined in situ TEM and atomistic study

Materialia

Stangebye, Sandra; Zhang, Yin; Gupta, Saurabh; Hosseinian, Ehsan; Yu, Frank; Barr, Christopher; Hattar, Khalid M.; Pierron, Olivier; Zhu, Ting; Kacher, Josh

Nanocrystalline Al thin films have been strained in situ in a transmission electron microscope using two separate nanomechanical techniques involving a push-to-pull device and a microelectromechanical system (MEMS) device. Deformation-induced grain growth was observed to occur via stress-assisted grain boundary migration with extensive grain growth occurring in the necked region, indicating that the increase in local stress drives the boundary migration. Under applied tensile stresses close to the ultimate tensile strength of 450 MPa for a nanocrystalline Al specimen, measured boundary migration speeds are 0.2 – 0.7 nm s−1 for grains outside necked region and increases to 2.5 nm s−1 for grains within the necked region where the local estimated tensile stresses are elevated to around 630 MPa. By tracking grain boundary motion over time, molecular dynamics simulations showed qualitative agreement in terms of pronounced grain boundary migration with the experimental observations. The combined in situ observation and molecular dynamics simulation results underscore the important role of stress-driven grain growth in plastically deforming nanocrystalline metals, leading to intergranular fracture through predominant grain boundary sliding in regions with large localized deformation.

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Novel perspective on a conventional technique: Impact of ultra-low temperature on bacterial viability and protein extraction

PLoS ONE

Sarnaik, Aditya; Mhatre, Apurv; Faisal, Muhammad; Smith, Dylan; Davis, Ryan W.; Varman, Arul M.

Ultra-low temperature (ULT) storage of microbial biomass is routinely practiced in biological laboratories. However, there is very little insight regarding the effects of biomass storage at ULT and the structure of the cell envelope, on cell viability. Eventually, these aspects influence bacterial cell lysis which is one of the critical steps for biomolecular extraction, especially protein extraction. Therefore, we studied the effects of ULT-storage (-80°C) on three different bacterial platforms: Escherichia coli, Bacillus subtilis and the cyanobacterium Synechocystis sp. PCC 6803. By using a propidium iodide assay and a modified MTT assay we determined the impact of ULT storage on cellular viability. Subsequently, the protein extraction efficiency was determined by analyzing the amount of protein released following the storage. The results successfully established that longer the ULT-storage time lower is the cell viability and larger is the protein extraction efficiency. Interestingly, E. coli and B. subtilis exhibited significant reduction in cell viability over Synechocystis 6803. This indicates that the cell membrane structure and composition may play a major role on cell viability in ULT storage. Interestingly, E. coli exhibited concomitant increase in cell lysis efficiency resulting in a 4.5-fold increase (from 109 μg/ml of protein on day 0 to 464 μg/ml of protein on day 2) in the extracted protein titer following ULT storage. Furthermore, our investigations confirmed that the protein function, tested through the extraction of fluorescent proteins from cells stored at ULT, remained unaltered. These results established the plausibility of using ULT storage to improve protein extraction efficiency. Towards this, the impact of shorter ULT storage time was investigated to make the strategy more time efficient to be adopted into protocols. Interestingly, E. coli transformants expressing mCherry yielded 2.7-fold increase (93 μg/mL to 254 μg/mL) after 10 mins, while 4-fold increase (380 μg/mL) after 120 mins of ULT storage in the extracted soluble protein. We thereby substantiate that: (1) the storage time of bacterial cells in-80°C affect cell viability and can alter protein extraction efficiency; and (2) exercising a simple ULT-storage prior to bacterial cell lysis can improve the desired protein yield without impacting its function.

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Optically-Triggered Optical Limiters for Short-Wavelength Infrared Sensor Protection

2021 Conference on Lasers and Electro-Optics, CLEO 2021 - Proceedings

Wood, Michael G.; Mckay, Alec; Morin, Theodore J.; Serkland, Darwin K.; Luk, Ting S.; Wolfley, Steven L.; Gastian, Loren G.; Mudrick, John M.; Jasperson, Ben; Johnson, Harley T.

We report experimental and numerical developments extending the operating range of vanadium dioxide based optical limiters into the short-wavelength infrared. Pixelated sensor elements have been fabricated which show optically-triggered limiting of a 2.7 µm probe.

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RVMA: Remote virtual memory access

Proceedings - 2021 IEEE 35th International Parallel and Distributed Processing Symposium, IPDPS 2021

Grant, Ryan E.; Levenhagen, Michael J.; Dosanjh, Matthew D.; Widener, Patrick W.

Remote Direct Memory Access (RDMA) capabilities have been provided by high-end networks for many years, but the network environments surrounding RDMA are evolving. RDMA performance has historically relied on using strict ordering guarantees to determine when data transfers complete, but modern adaptively-routed networks no longer provide those guarantees. RDMA also exposes low-level details about memory buffers: either all clients are required to coordinate access using a single shared buffer, or exclusive resources must be allocatable per-client for an unbounded amount of time. This makes RDMA unattractive for use in many-to-one communication models such as those found in public internet client-server situations.Remote Virtual Memory Access (RVMA) is a novel approach to data transfer which adapts and builds upon RDMA to provide better usability, resource management, and fault tolerance. RVMA provides a lightweight completion notification mechanism which addresses RDMA performance penalties imposed by adaptively-routed networks, enabling high-performance data transfer regardless of message ordering. RVMA also provides receiver-side resource management, abstracting away previously-exposed details from the sender-side and removing the RDMA requirement for exclusive/coordinated resources. RVMA requires only small hardware modifications from current designs, provides performance comparable or superior to traditional RDMA networks, and offers many new features.In this paper, we describe RVMA's receiver-managed resource approach and how it enables a variety of new data-transfer approaches on high-end networks. In particular, we demonstrate how an RVMA NIC could implement the first hardware-based fault tolerant RDMA-like solution. We present the design and validation of an RVMA simulation model in a popular simulation suite and use it to evaluate the advantages of RVMA at large scale. In addition to support for adaptive routing and easy programmability, RVMA can outperform RDMA on a 3D sweep application by 4.4X.

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Xyce Parallel Electronic Simulator Users' Guide (V. 7.3)

Keiter, Eric R.; Russo, Thomas V.; Schiek, Richard S.; Thornquist, Heidi K.; Mei, Ting M.; Verley, Jason V.; Sholander, Peter E.; Aadithya, Karthik V.

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been designed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: Capability to solve extremely large circuit problems by supporting large-scale parallel computing platforms (up to thousands of processors). This includes support for most popular parallel and serial computers; A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one to develop new types of analysis without requiring the implementation of analysis-specific device models; Device models that are specifically tailored to meet Sandia's needs, including some radiation-aware devices (for Sandia users only); Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase—a message passing parallel implementation—which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows.

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Soil Sampling Results for Closure of a Portion of Solid Waste Management Unit #16

Manger, Trevor J.

The U.S. Department of Energy/National Nuclear Security Administration (DOE/ NNSA) and National Technology & Engineering Solutions of Sandia, LLC (NTESS), the management and operating contractor for Sandia National Laboratories/California (SNL/CA), has prepared this soil sampling results report for closure of a portion of Solid Waste Management Unit (SWMU) #16. The entire network of SNL/CA sanitary sewer lines, including building laterals, was identified as SWMU #16 under a Resource Conservation and Recovery Act (RCRA) Facility Assessment conducted for SNL/CA in April 1991 (DOE 1992). Along with the previous SWMU #16 investigation results (SNL/CA 2019), the results of this investigation are intended to support closure decisions by the San Francisco Bay Regional Water Quality Control Board (RWQCB), as discussed below. SNL/CA personnel completed upgrading its sanitary sewer discharge network in 2019. These upgrades included installing new sections of underground lines and decommissioning certain sections of the old piping system by capping in place. To date, several sections of the sewer line have been abandoned-in-place by capping as new sewer lines were installed or flow was rerouted to other existing lines. To formally close these abandoned sections of the sewer line, the RWQCB required that SNL/CA personnel collect soil samples to be analyzed for contaminants potentially released from the sewer lines. SNL/CA personnel hired Weiss Associates (Weiss) of Emeryville, California to prepare a sampling and analysis plan, implement the sampling plan and report the results of the investigation under Purchase Order #2166257. The Sampling and Analysis Plan for Partial Closure of Solid Waste Management Unit #16 (SAP) was submitted to the RWQCB on August 14, 2020 by Weiss on behalf of SNL/CA. The RWQCB approved the SAP on September 30, 2020 after Weiss updated the method detection limit and reporting limits for total polychlorinated biphenyls (PCBs) and individual aroclors. Soil sampling was conducted in accordance with the SAP except that fewer locations were sampled due to site constraints, as discussed below. This report presents the results of the sampling effort and documents all associated field activities including borehole clearing, soil sample collection, storage and transportation to the analytical laboratories, borehole backfilling and surface restoration, and storage of investigation-derived waste (IDW) for future profiling and disposal by SNL/CA waste management personnel.

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Dakota A Multilevel Parallel Object-Oriented Framework for Design Optimization Parameter Estimation Uncertainty Quantification and Sensitivity Analysis (V.6.14) (User's Manual)

Adams, Brian M.; Bohnhoff, William J.; Dalbey, Keith R.; Ebeida, Mohamed S.; Eddy, John P.; Eldred, Michael S.; Hooper, Russell W.; Hough, Patricia D.; Hu, Kenneth T.; Jakeman, John D.; Khalil, Mohammad; Maupin, Kathryn A.; Monschke, Jason A.; Ridgway, Elliott M.; Rushdi, Ahmad A.; Seidl, Daniel T.; Stephens, John A.; Winokur, Justin G.

The Dakota toolkit provides a flexible and extensible interface between simulation codes and iterative analysis methods. Dakota contains algorithms for optimization with gradient and nongradient-based methods; uncertainty quantification with sampling, reliability, and stochastic expansion methods; parameter estimation with nonlinear least squares methods; and sensitivity/variance analysis with design of experiments and parameter study methods. These capabilities may be used on their own or as components within advanced strategies such as surrogate-based optimization, mixed integer nonlinear programming, or optimization under uncertainty. By employing object-oriented design to implement abstractions of the key components required for iterative systems analyses, the Dakota toolkit provides a flexible and extensible problem-solving environment for design and performance analysis of computational models on high performance computers. This report serves as a users manual for the Dakota software and provides capability overviews and procedures for software execution, as well as a variety of example studies.

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Open Radiation Monitoring: Histogram Builder Module Design

Maierhafer, Daniel M.; Polack, John K.; Marleau, Peter M.; Hammon, Steven H.; Helguero, Rachel R.; Geyer, Christian G.

The Open Radiation Monitoring Project seeks to develop and demonstrate a modular radiation detection architecture designed specifically for use in arms control treaty verification (ACTV) applications that will facilitate rapid development of trusted systems to meet the needs of potential future treaties. A modular architecture can be used to reduce more complex systems to a series of single purpose building blocks, thereby facilitating equipment inspection and in turn building trust in the equipment by all treaty parties. Furthermore, a modular architecture can be used to control data flow within the measurement system, reducing the risk of "hidden switches" and constraining the amount of sensitive information that could potentially be inadvertently leaked. This report details the first revision of a prototype circuit that will convert analog pulses directly into a histogrammed data set for further processing. The circuit was designed with both spectroscopy and multiplicity analysis in mind but can, in principle, be used to reduce any raw data stream into a histogram. The number of output channels is limited, and the histogram bin ranges are user configurable to allow for non-uniform and discontinuous bins, which makes it possible to restrict the information being passed down stream if desired. Pulse processing relies entirely on analog circuitry and non- programmable logic, which enables operation without the need for a central processor or other programmable control unit. The circuit remains untested under the Open Radiation Monitoring project due to the closure of the sponsoring program. However, further development and testing is scheduled to take place in support of a purpose-built trusted verification system development effort known as COGNIZANT, which demonstrates the potential benefit of developing a suite of modular trusted system components.

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Impact of Extreme Weather Events on Physical Protection System Effectiveness for a Hypothetical Small Modular Reactor Facility: Systems Analysis and Considerations

Evans, Alan S.

This report will summarize the group's work to provide recommendations to secure nuclear facilities before, during and after an extreme weather event. Extreme weather events can have drastic impacts to nuclear facilities as seen by the earthquake and subsequent tsunami at the Fukushima Daiichi Nuclear Power Plant in 2011. Recent hurricanes in the United States including Hurricane Harvey demonstrate the devastating effects these storms can have on infrastructure and the surrounding communities. The group is attempting to identify the gaps that potential small modular reactor (SMR) facilities will need to address in order to provide adequate site security before, during and after extreme weather events. This effort proceeded in three parts to provide insights and recommendations to secure Small Modular Reactor facilities for extreme weather events:(1) a literature review of academic articles as well as relevant documents including the existing regulatory framework and recommendations from the IAEA, NRC, and DOE, (2) subject matter expert interviews from a wide variety of security backgrounds, and (3) modeling and simulation on a hypothetical SMR facility. Special attention was paid to the interactions between stakeholders and nuclear facility design considerations, particularly the topics of safety and security. Engineering design issues from safety and security perspectives were discussed and included in simulation. Each step informed the proceeding, with the result including full tabletop scenarios of EWE impacts to security system effectiveness on the hypothetical model. This systems-level analysis provides results to inform recommendations to secure SMR facilities.

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Accomplishments of Sandia and Kitware CMake/CTest/CDash Contract for (FY2017-2020)

Bartlett, Roscoe B.; Galbreath, Zack

We describe the accomplishments jointly achieved by Kitware and Sandia over the fiscal years 2016 through 2020 to benefit the Advanced Scientific Computed (ASC) Advanced Technology Development and Mitigation (ATDM) project. As a result of our collaboration, we have improved the Trilinos and ATDM application developer experience by decreasing the time to build, making it easier to identify and resolve build and test defects, and addressing other issues . We have also reduced the turnaround time for continuous integration (CI) results. For example, the combined improvements likely cut the wall clock time to run automated builds of Trilinos posting to CDash by approximately 6x or more in many cases. We primarily achieved these benefits by contributing changes to the Kitware CMake/CTest/CDash suite of open source software development support tools. As a result, ASC developers can now spend more time improving code and less time chasing bugs. And, without this work, one can argue that the stabilization of Trilinos for the ATDM platforms would not have been feasible which would have had a large negative impact on an important internal FY20 L1 milestone.

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Xyce™ Parallel Electronic Simulator Reference Guide, Version 7.3

Keiter, Eric R.; Russo, Thomas V.; Schiek, Richard S.; Thornquist, Heidi K.; Mei, Ting M.; Verley, Jason V.; Sholander, Peter E.; Aadithya, Karthik V.

This document is a reference guide to the Xyce Parallel Electronic Simulator, and is a companion document to the Xyce Users' Guide. The focus of this document is (to the extent possible) exhaustively list device parameters, solver options, parser options, and other usage details of Xyce. This document is not intended to be a tutorial. Users who are new to circuit simulation are better served by the Xyce Users' Guide.

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Nanocomposite-seeded Single-Domain Growth of Lithium Niobate Thin Films for Photonic Applications

2021 Conference on Lasers and Electro-Optics, CLEO 2021 - Proceedings

Paldi, Robynne L.; Aryal, Arjun; Behzadirad, Mahmoud; Stricklin, Isaac; Busani, Tito; Luk, Ting S.; Siddiqui, Aleem M.; Wang, Haiyan

Epitaxial single-domain LiNbO3 thin-films are realized using a novel nanocomposite seeding method. Full microstructure characterization and optical property measurement is conducted as a first step to demonstrate viability of this material for integrated photonics applications.

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The MBARI-WEC: a power source for ocean sensing

Journal of Ocean Engineering and Marine Energy

Hamilton, Andrew; Cazenave, Francois; Forbush, Dominic D.; Coe, Ryan G.; Bacelli, Giorgio B.

Interest in wave energy converters to provide autonomous power to various ocean-bound systems, such as autonomous underwater vehicles, sensor systems, and even aquaculture farms, has grown in recent years. The Monterey Bay Aquarium Research Institute has developed and deployed a small two-body point absorber wave energy device suitable to such needs. This paper provides a description of the system to support future open-source access to the device and further the general development of similar wave energy systems. Additionally, to support future control design and system modification efforts, a set of hydrodynamic models are presented and cross-compared. To test the viability of using a linear frequency-domain admittance model for controller tuning, the linear model is compared against four WEC-Sim models of increasing complexity. The linear frequency-domain model is found to be generally adequate for capturing system dynamics, as the model agreement is good and the degree of nonlinearity introduced in the WEC-Sim models is generally less than 2.5%.

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Radiation Effects in Advanced and Emerging Nonvolatile Memories

IEEE Transactions on Nuclear Science

Marinella, Matthew J.

Despite hitting major roadblocks in 2-D scaling, NAND flash continues to scale in the vertical direction and dominate the commercial nonvolatile memory market. However, several emerging nonvolatile technologies are under development by major commercial foundries or are already in small volume production, motivated by storage-class memory and embedded application drivers. These include spin-transfer torque magnetic random access memory (STT-MRAM), resistive random access memory (ReRAM), phase change random access memory (PCRAM), and conductive bridge random access memory (CBRAM). Emerging memories have improved resilience to radiation effects compared to flash, which is based on storing charge, and hence may offer an expanded selection from which radiation-tolerant system designers can choose from in the future. This review discusses the material and device physics, fabrication, operational principles, and commercial status of scaled 2-D flash, 3-D flash, and emerging memory technologies. Radiation effects relevant to each of these memories are described, including the physics of and errors caused by total ionizing dose, displacement damage, and single-event effects, with an eye toward the future role of emerging technologies in radiation environments.

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Data-driven learning of nonautonomous systems

SIAM Journal on Scientific Computing

Qin, Tong; Chen, Zhen; Jakeman, John D.; Xiu, Dongbin

We present a numerical framework for recovering unknown nonautonomous dynamical systems with time-dependent inputs. To circumvent the difficulty presented by the nonautonomous nature of the system, our method transforms the solution state into piecewise integration of the system over a discrete set of time instances. The time-dependent inputs are then locally parameterized by using a proper model, for example, polynomial regression, in the pieces determined by the time instances. This transforms the original system into a piecewise parametric system that is locally time invariant. We then design a deep neural network structure to learn the local models. Once the network model is constructed, it can be iteratively used over time to conduct global system prediction. We provide theoretical analysis of our algorithm and present a number of numerical examples to demonstrate the effectiveness of the method.

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Sensitivity-informed bayesian inference for home plc network models with unknown parameters

Energies

Ching, David C.; Safta, Cosmin S.; Reichardt, Thomas A.

Bayesian inference is used to calibrate a bottom-up home PLC network model with unknown loads and wires at frequencies up to 30 MHz. A network topology with over 50 parameters is calibrated using global sensitivity analysis and transitional Markov Chain Monte Carlo (TMCMC). The sensitivity-informed Bayesian inference computes Sobol indices for each network parameter and applies TMCMC to calibrate the most sensitive parameters for a given network topology. A greedy random search with TMCMC is used to refine the discrete random variables of the network. This results in a model that can accurately compute the transfer function despite noisy training data and a high dimensional parameter space. The model is able to infer some parameters of the network used to produce the training data, and accurately computes the transfer function under extrapolative scenarios.

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Multiscale System Modeling of Single-Event-Induced Faults in Advanced Node Processors

IEEE Transactions on Nuclear Science

Cannon, Matthew J.; Rodrigues, Arun; Black, Dolores A.; Black, Jeff; Bustamante, Luis G.; Feinberg, Benjamin F.; Quinn, Heather; Clark, Lawrence T.; Brunhaver, John S.; Barnaby, Hugh; McLain, Michael L.; Agarwal, Sapan A.; Marinella, Matthew J.

Integration-technology feature shrink increases computing-system susceptibility to single-event effects (SEE). While modeling SEE faults will be critical, an integrated processor's scope makes physically correct modeling computationally intractable. Without useful models, presilicon evaluation of fault-tolerance approaches becomes impossible. To incorporate accurate transistor-level effects at a system scope, we present a multiscale simulation framework. Charge collection at the 1) device level determines 2) circuit-level transient duration and state-upset likelihood. Circuit effects, in turn, impact 3) register-transfer-level architecture-state corruption visible at 4) the system level. Thus, the physically accurate effects of SEEs in large-scale systems, executed on a high-performance computing (HPC) simulator, could be used to drive cross-layer radiation hardening by design. We demonstrate the capabilities of this model with two case studies. First, we determine a D flip-flop's sensitivity at the transistor level on 14-nm FinFet technology, validating the model against published cross sections. Second, we track and estimate faults in a microprocessor without interlocked pipelined stages (MIPS) processor for Adams 90% worst case environment in an isotropic space environment.

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Pulse-burst spontaneous Raman thermometry of unsteady wave phenomena in a shock tube

Optics Letters

Winters, Caroline W.; Haller, Timothy; Kearney, S.P.; Varghese, Philip; Lynch, Kyle P.; Daniel, Kyle; Wagner, Justin W.

A high-speed temperature diagnostic based on spontaneous Raman scattering (SRS) was demonstrated using a pulse-burst laser. The technique was first benchmarked in near-adiabatic H2-air flames at a data-acquisition rate of 5 kHz using an integrated pulse energy of 1.0 J per realization. Both the measurement precision and accuracy in the flame were within 3% of adiabatic predictions. This technique was then evaluated in a challenging free-piston shock tube environment operated at a shock Mach number of 3.5. SRS thermometry resolved the temperature in post-incident and post-reflected shock flows at a repetition rate of 3 kHz and clearly showed cooling associated with driver expansion waves. Collectively, this Letter represents a major advancement for SRS in impulsive facilities, which had previously been limited to steady state regions or single-shot acquisition.

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Open Radiation Monitoring: Conceptual System Design

Polack, John K.; Brubaker, Erik B.; Hamel, Michael C.; Kiff, Scott; Marleau, Peter M.; Maierhafer, Daniel M.; Padilla, Eduardo A.; Weber, Thomas M.

The Open Radiation Monitoring (ORM) Project seeks to develop and demonstrate a modular radiation detection architecture designed specifically for use in arms control treaty verification (ACTV) applications that will facilitate rapid development of trusted systems to meet the needs of potential future treaties. Development of trusted systems to support potential future treaties is a complex and costly endeavor that typically results in a purpose-built system designed to perform one specific task. The majority of prior trusted system development efforts have relied on the use of commercial embedded computers or microprocessors to control the system and process the acquired data. These processors are complex, making authentication and certification of measurement systems and collected data challenging and time consuming. We believe that a modular architecture can be used to reduce more complex systems to a series of single-purpose building blocks that could be used to implement a variety of detection modalities with shared functionalities. With proper design, the functionality of individual modules can be confirmed through simple input/output testing, thereby facilitating equipment inspection and in turn building trust in the equipment by all treaty parties. Furthermore, a modular architecture can be used to control data flow within the measurement system, reducing the risk of "hidden switches" and constraining the amount of sensitive information that could potentially be inadvertently leaked. This report documents a conceptual modular system architecture that is designed to facilitate inspection in an effort to reduce overall authentication and certification burden. As of publication, this architecture remains in a conceptual phase and additional funding is required to prove out the utility of a modular architecture and test the assumptions used to rationalize the design.

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Etching with electron beam-generated plasmas: Selectivity versus ion energy in silicon-based films

Journal of Vacuum Science and Technology A: Vacuum, Surfaces and Films

Walton, S.G.; Boris, D.R.; Rosenberg, Samantha G.; Miyazoe, H.; Joseph, E.A.; Engelmann, S.U.

In the ideal case, plasma-enhanced atomic layer etching enables the ability to not only remove one monolayer of material but also leave adjacent layers undamaged. This dual mandate requires fine control over the flux of species to ensure efficacy, while maintaining an often arduously low ion energy. Electron beam-generated plasmas are well-suited for etching at low ion energies as they are generally characterized by highly charged particle densities (1010-1011 cm-3) and low electron temperatures (<1.0 eV), which provide the ability to deliver a large flux of ions whose energies are <5 eV. Raising the ion energy with substrate biasing thus enables process control over an energy range that extends down to values commensurate with the bond strength of most material systems. In this work, we discuss silicon nitride etching using pulsed, electron beam-generated plasmas produced in argon-SF6 backgrounds. We pay particular attention to the etch rates and selectivity versus oxidized silicon nitride and polycrystalline silicon as a function of ion energy from a few eV up to 50 eV. We find the blanket etch rate of Si3N4 to be in the range of 1 A/s, with selectivities (versus SiO2 and poly-Si) greater than 10:1 when ion energies are below 30 eV.

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Lightning Burnthrough to Containment Breach of 55-Gallon TRU Waste Drums

Martinez, Leonard E.; Pretorius, David

We investigated by arc-plasma heating the feasibility of attributing inherent lightning protection to 55-gallon DOT 7A, Type A, open head carbon steel drums made of 1.5 millimeter painted carbon steel, designed to protect Department of Energy transuranic nuclear waste. The Sandia Lightning Simulator transferred continuing current in 300 ampere (A), 400 A, and 500 A tests to achieve a 350 coulomb charge transfer and simulate cloud-to-ground lightning attachment to test coupons and 9 drums. A tungsten electrode was placed 0.75 inch from the drums. High-speed photography was recorded to observe the exterior containment breach, or "first light," seen on camera when burnthrough opened a hole in the containment. Sheet metal burnthrough occurred between 18 and 71 coulombs in lid and rolling hoop tests, but 12-gauge closure ring tests did not result in burnthrough, which suggests this feature may provide an inherent air terminal protective feature.

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A Constitutive Structural Parameter for the Work Hardening Behavior of Additively Manufactured Ti-6Al-4V

Jankowski, Alan F.

The mechanical behavior of Ti-6Al-4V produced by additive manufacturing processes is assessed based on a formulation developed from the Kocks-Mecking relationship. A constitutive parameter derived for the microstructure is characteristic of the work hardening behavior determined by the plastic strain between the proportional limit and the strength at the instability point. The varied plasticity behavior associated with surface and build direction effects can be evaluated with this approach as presented for the case of Ti-6Al-4V under uniaxial tension.

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Radiation-Induced Error Mitigation by Read-Retry Technique for MLC 3-D NAND Flash Memory

IEEE Transactions on Nuclear Science

Kumari, Preeti; Surendranathan, Umeshwarnath; Olszewska-Wasiolek, Maryla A.; Hattar, Khalid M.; Bhat, Narayana P.; Ray, Biswajit

In this article, we have evaluated the Read-Retry (RR) functionality of the 3-D NAND chip of multilevel-cell (MLC) configuration after total ionization dose (TID) exposure. The RR function is typically offered in the high-density state-of-the-art NAND memory chips to recover data once the default memory read method fails to correct data with error correction codes (ECCs). In this work, we have applied the RR method on the irradiated 3-D NAND chip that was exposed with a Co-60 gamma-ray source for TID up to 50 krad (Si). Based on our experimental evaluation results, we have proposed an algorithm to efficiently implement the RR method to extend the radiation tolerance of the NAND memory chip. Our experimental evaluation shows that the RR method coupled with ECC can ensure data integrity of MLC 3-D NAND for TID up to 50 krad (Si).

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Self-biased magnetoelectric switching at room temperature in three-phase ferroelectric–antiferromagnetic–ferrimagnetic nanocomposites

Nature Electronics

Lu, Ping L.

Magnetoelectric systems could be used to develop magnetoelectric random access memory and microsensor devices. One promising system is the two-phase 3-1-type multiferroic nanocomposite in which a one-dimensional magnetic column is embedded in a three-dimensional ferroelectric matrix. However, it suffers from a number of limitations including unwanted leakage currents and the need for biasing with a magnetic field. Here we show that the addition of an antiferromagnet to a 3-1-type multiferroic nanocomposite can lead to a large, self-biased magnetoelectric effect at room temperature. Our three-phase system is composed of a ferroelectric Na0.5Bi0.5TiO3 matrix in which ferrimagnetic NiFe2O4 nanocolumns coated with antiferromagnetic p-type NiO are embedded. This system, which is self-assembled, exhibits a magnetoelectric coefficient of up to 1.38 × 10–9 s m–1, which is large enough to switch the magnetic anisotropy from the easy axis (Keff = 0.91 × 104 J m–3) to the easy plane (Keff = –1.65 × 104 J m–3).

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Image processing methods for Rayleigh scattering measurements of diesel spray mixing at high repetition rate

Applied Physics B: Lasers and Optics

Manin, Julien L.; Pickett, Lyle M.; Skeen, Scott A.; Frank, Jonathan H.

This work describes the diagnostic implementation and image processing methods to quantitatively measure diesel spray mixing injected into a high-pressure, high-temperature environment. We used a high-repetition-rate pulse-burst laser developed in-house, a high-speed CMOS camera, and optimized the optical configuration to capture Rayleigh scattering images of the vaporized fuel jets inside a constant volume chamber. The experimental installation was modified to reduce reflections and flare levels to maximize the images’ signal-to-noise ratios by anti-reflection coatings on windows and surfaces, as well as series of optical baffles. Because of the specificities of the high-speed system, several image processing techniques had to be developed and implemented to provide quantitative fuel concentration measurements. These methods involve various correction procedures such as camera linearity, laser intensity fluctuation, dynamic background flare, as well as beam-steering effects. Image inpainting was also applied to correct the Rayleigh scattering signal from large scatterers (e.g. particulates). The experiments demonstrate that applying planar laser Rayleigh scattering at high repetition rate to quantitatively resolve the mixing of fuel and ambient gases in diesel jets is challenging, but possible. The thorough analysis of the experimental uncertainty and comparisons to past data prove that such measurements can be accurate, whilst providing valuable information about the mixing processes of high-pressure diesel jets.

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Results 10601–10800 of 96,771
Results 10601–10800 of 96,771