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ER Consolidated Qtrly Rpt_January-March 2018 October 2018

Cochran, John R.

This Sandia National Laboratories, New Mexico Environmental Restoration Operations (ER) Consolidated Quarterly Report (ER Quarterly Report) fulfills all quarterly reporting requirements set forth in the Compliance Order on Consent. Table 1-2 lists the 12 sites in the corrective action process. This ER Quarterly Report presents activities and data as follows: SECTION I: Environmental Restoration Operations Consolidated Quarterly Report, April — June 2018. SECTION II: Perchlorate Screening Quarterly Groundwater Monitoring Report, April — June 2018. SECTION III: Technical Area (TA)-V In-Situ Bioremediation Treatability Study Pilot Test Results.

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Building 1090 Modifications Lessons Learned

Allen, Mark B.

The purpose of this document is to capture and disseminate lessons learned from the Sandia National Laboratories (SNL) Building 1090 modification project that took place from 2013 to 2018. The following sections summarize the drivers, issues encountered and lessons learned at each phase in the project.

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Modelling Charged Defects in Non-Cubic Semiconductors for Radiation Effects Studies in Next Generation Materials

Schultz, Peter A.

This final report summarizes the results of the Laboratory Directed Research and Devel- opment (LDRD) Project Number 212587 entitled "Modeling Charged Defects in Non-Cubic Semiconductors for Radiation Effects Studies in Next Generation Electronic Materials" . The goal of this project was to extend a predictive capability for modeling defect level energies using first principle density functional theory methods (e.g., for radiation effects assessments) to semiconductors with non-cubic crystal structures. Computational methods that proved accurate for predicting defect levels in standard cubic semiconductors, were found to have shortcomings when applied to the lowered symmetry structures prevalent in next generation electronic materials such as SiC, GaN, and Ga203, stemming from an error in the treatment of the electrostatic boundary conditions. I describe methods to generalized the local moment countercharge (LMCC) scheme to position a charge in bulk supercell calculations of charged defects, circumventing the problem of measuring a dipole in a periodically replicated bulk calculation.

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Advances in Geologic Disposal Safety Assessment and an Unsaturated Alluvium Reference Case

Mariner, Paul M.; Stein, Emily S.; Cunningham, Leigh C.; Frederick, Jennifer M.; Hammond, Glenn E.; Lowry, Thomas S.; Basurto, Eduardo B.

The Spent Fuel and Waste Science and Technology (SFWST) Campaign of the U.S. Depat ment of Energy (DOE) Office of Nuclear Energy (NE), Office of Fuel Cycle Technology (OFCT) is conducting research and development (R&D) on geologic disposal of spent nuclear fuel (SNF) and high level nuclear waste (HLW). Two high priorities for SFWST disposal R&D are design concept development and disposal system modeling (DOE 2011, Table 6). These priorities are directly addressed in the SFWST Geologic Disposal Safety Assessment (GDSA) work package, which is charged with developing a disposal system modeling and analysis capability for evaluating disposal system performance for nuclear waste in geologic media. This report describes specific GDSA activities in fiscal year 2018 (FY 2018) toward the development of GDSA Framework, an enhanced disposal system modeling and analysis capability for geologic disposal of nuclear waste. GDSA Framework employs the PFLOTRAN thermal-hydrologic-chemical multiphysics code (Hammond et al. 2011a; Lichtner and Hammond 2012) and the Dakota uncertainty sampling and propagation code (Adams et al. 2012; Adams et al. 2013). Each code is designed for massivelyparallel processing in a high-performance computing (HPC) environment. Multi-physics representations in PFLOTRAN are used to simulate various coupled processes including heat flow, fluid flow, waste dissolution, radionuclide release, radionuclide decay and ingrowth, precipitation and dissolution of secondary phases, and radionuclide transport through engineered barriers and natural geologic barriers to the biosphere. Dakota is used to generate sets of representative realizations and to analyze parameter sensitivity.

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Complexity and Simplicity: Putting Complexity Science in Perspective

Ackermann, Mark R.; Hayden, Nancy K.; Jones, Wendell J.

As technical systems and social problems in modern society become ever more complex, many organizations are turning to what is commonly termed complexity science to find solutions. The problem many organizations face is that they frequently have no clear idea what they are trying to accomplish, no in-depth understanding of the nature, size and dimension of their problem, and only a limited understanding of what theoretical approaches and off-the-shelf analysis tools exist or are applicable to their particular problem. This paper examines the larger topic of complexity science, providing insight, and helping to place its promises in perspective.

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An Update to the SWiFT V27 Reference Model

Kelley, Christopher L.; White, Jonathan

A revised Sandia V27 reference model is provided for use with the wind turbine analysis code, FAST, incorporating refined parameters based on blade geometry measurements and performance data collected during the 2017 wake steering campaign at the Scaled Wind Farm Technology (SWiFT) site. The chord, twist, and airfoil section shapes were measured at five span locations on the blades of wind turbine WTGb1. The V27 AeroDyn file was updated with values equal to the measured chord and twist. The measured airfoil shapes deviated over the aft half of the chord compared to the original blade model NACA profiles. Differences in trailing edge camber were converted to an equivalent trailing edge flap effect calculated with thin airfoil theory. These mod- ified airfoil polars were updated in the V27 FAST model. The tip-speed-ratio and root bending moment were measured experimentally in the wake steering campaign at SWiFT on wind turbine WTGa1. The torque constant and collective pitch of the model were tuned so that the model output tip-speed-ratio and thrust, root bending moment matched the experiment across all wind speeds in region 2 operation with minimum error.

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Summary Update on the Feasibility of Direct Disposal of SNF in Existing DPCs

Hardin, Ernest H.

This report is the deliverable M2SF-18SN010305026 FY18 Summary Update on the Feasibility of Direct Disposal of SNF in Existing DPCs. It reports on work done throughout fiscal year (FY) 2018, on work planned at the beginning of that FY, consisting of R&D activities for: 1) injectable fillers that could be used in dual-purpose canisters to prevent postclosure criticality in a geologic repository, and 2) as-loaded DPC data gathering and criticality. The work reported here was performed by Sandia National Laboratories and Oak Ridge National Laboratory. Appropriate attribution to source documents is provided in the text, tables, and figures below. Additional R&D on direct disposal of existing DPCs was planned and funded in mid-FY, and the associated reporting is separate from this milestone. Additional discussion of that new scope and how it implements findings from an independent expert review of the fillers R&D program (Section 10) is provided in the Summary (Section 11).

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SIERRA Multimechanics Module: Aria User Manual - Version 4.50

Author, No

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process fows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( Re < 1 ) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian- Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton's method with analytic or numerical sensitivities, fully-coupled Newton- Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h-adaptivity and dynamic load balancing are some of Aria's more advanced capabilities.

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SIERRA Low Mach Module: Fuego User Manual - Version 4.50

Author, No

The SIERRA Low Mach Module: Fuego along with the SIERRA Participating Media Radiation Module: Syrinx, henceforth referred to as Fuego and Syrinx, respectively, are the key elements of the ASCI fire environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible flow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Syrinx represents the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

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SIERRA Multimechanics Module: Aria Thermal Theory Manual - Version 4.50

Author, No

This document describes the theoretical foundation of thermal analysis in Sierra Mechanics. The SIERRA Multimechanics Module: Aria, henceforth referred to as Aria for brevity, was developed at Sandia National Laboratories under the ASC program, and approximates linear and nonlinear continuum models of heat transfer. Aria uses the SIERRA Framework, which provides data management services commonly required by computational mechanics software, and facilitates the development of coupled, multi-mechanics applications for massively parallel computers. The mathematical models in Aria are based heavily on those of COYOTE, a well-established thermal analysis program that was also developed at Sandia and its ASC code predecessor, Calore. Aria, Calore and COYOTE share a significant body of numerical methods, which are described in detail by Reddy and Gartling. Throughout this document, the terms software and implementation are synonymous with the Aria thermal-fluid analysis computer program. Whether one uses Aria to perform heat transfer analysis, or in developing a new capability for the Aria application, this document provides the information needed understand the existing numerical algorithm implementations. Justification for the fundamental assumptions of heat transfer, nor derivation of the energy conservation equations are included in this document. For a more thorough theoretical background, one is referred to one of the many available textbooks, e.g. Another reference, which is freely available in downloadable electronic form, is Lienhard and Lienhard.

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SIERRA Low Mach Module: Fuego Theory Manual - Version 4.50

Author, No

The SIERRA Low Mach Module: Fuego along with the SIERRA Participating Media Radiation Module: Syrinx, henceforth referred to as Fuego and Syrinx, respectively, are the key elements of the ASC fire environment simulation project. The fire environment simulation project is directed at characterizing both open large-scale pool fires and building enclosure fires. Fuego represents the turbulent, buoyantly-driven incompressible flow, heat transfer, mass transfer, combustion, soot, and absorption coefficient model portion of the simulation software. Syrinx represents the participating-media thermal radiation mechanics. This project is an integral part of the SIERRA multi-mechanics software development project. Fuego depends heavily upon the core architecture developments provided by SIERRA for massively parallel computing, solution adaptivity, and mechanics coupling on unstructured grids.

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SIERRA/Aero User Manual - Version 4.50

Author, No

SIERRA/Aero is a compressible fluid dynamics program intended to solve a wide variety compressible fluid flows including transonic and hypersonic problems. This document describes the commands for assembling a fluid model for analysis with this module, henceforth referred to simply as Aero for brevity. Aero is an application developed using the SIERRA Toolkit (STK). The intent of STK is to provide a set of tools for handling common tasks that programmers encounter when developing a code for numerical simulation. For example, components of STK provide field allocation and management, and parallel input/output of field and mesh data. These services also allow the development of coupled mechanics analysis software for a massively parallel computing environment. In the definitions of the commands that follow, the term Real_Max denotes the largest floating point value that can be represented on a given computer. Int_Max is the largest such integer value.

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Facilities & Infrastructure Five-Year Investment Plan

Billie, Gepetta S.

The Facilities & Infrastructure (F&I) Five-Year Investment Plan (Five-Year Plan) presents a framework to acquire, maintain, modify, and dispose real property assets with indirectand direct-funded investments to sustain and modernize Sandia's F&I portfolio. This plan begins with a description of the principles used to guide decision-making for indirectfunded investments followed by a high—level view of F&I investments planned in the near— and mid—terms to meet emerging F&I needs required to support current and future mission work across Sandia's campuses.

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Water Resource Assessment in the New Mexico Permian Basin

Lowry, Thomas S.; Schuhen, Michael D.; Lofton, Owen W.; Jenkins, La T.; Johnson, Patricia B.; Powers, Dennis W.; Bowman, Dale O.

Advancements in directional drilling and well completion technologies have resulted in an exponential growth in the use of hydraulic fracturing for oil and gas extraction. Within the New Mexico Permian Basin, water demand to complete each hydraulically fractured well is estimated to average 7.3 acre-feet (2.4 million gallons), resulting in an increase to the regional water demand of over 5000 acre-feet per year. This rising demand is creating concern for the regions ability to meet the demand in a manner that fulfills BLM's role of protecting human health and the environment while sustainably meeting the needs of various of water users in the region. This report documents a study that establishes a water-level and chemistry baseline and develops a modeling tool to aid the BLM in understanding the regional water supply dynamics under different management, policy, and growth scenarios and to pre-emptively identify risks to water sustainability.

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Final Project Report: PV Stakeholder Engagement Initiatives

Stein, Joshua S.; Lavrova, Olga A.

The key objectives of this project were to increase meaningful stakeholder engagement in photovoltaic performance modeling and reliability areas. We did this by hosting six workshop over the past three years, giving conference and workshop presentations and contributing to technical standards committees. Our efforts have made positive contributions by increasing the sharing of information and best practices and by creating and sustaining a technical community in PV Performance Modeling. This community has worked together over the past three years and has improved its practice and decreased performance modeling uncertainties.

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Final Project Report: Performance Models and Standards for Bifacial PV Module Technologies

Stein, Joshua S.

This project has three main objectives: (1) to field and collect performance data from bifacial PV systems and share this information with the stakeholder community; (2) to develop and validate bifacial performance models and deployment guides that will allow users to accurately predict and assess the use of bifacial PV as compared with monofacial technologies and (3) to help develop international power rating standards for bifacial PV modules.

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Evaluation of Used Fuel Disposition in Clay-Bearing Rock

Jove Colon, Carlos F.; Payne, Clay P.; Knight, Andrew W.; Ho, Tuan A.; Rutqvist, Jonny; Kim, Kunwi; Xu, Hao; Guglielmi, Yves; Birkholzer, Jens; Caporuscio, Florie; Sauer, Kirsten B.; Rock, M.J.; Houser, L.M.; Jerden, James; Gattu, Vineeth K.; Ebert, William

The DOE R&D program under the Spent Fuel Waste Science Technology (SFWST) campaign has made key progress in modeling and experimental approaches towards the characterization of chemical and physical phenomena that could impact the long-term safety assessment of nuclear waste disposition in deep clay/shale/argillaceous rock. Interactional collaboration activities such as heater tests, particularly postmortem sample recovery and analysis, have elucidated important information regarding changes in engineered barrier system (EBS) material exposed to years of thermal loads. Chemical and structural analyses of bentonite material from such tests has been key to the characterization of thermal effects affecting clay composition, sorption behavior, and swelling. These are crucial to evaluating the nature and extent of bentonite barrier sacrificial zones in the EBS during the thermal period. Thermal, hydrologic, and chemical data collected from heater tests and laboratory experiments has been used in the development and validation of THMC simulators to model near-field coupled processes affecting engineered and natural barrier materials, particularly during the thermal period. This information leads to the development of simulation approaches (e.g., continuum vs. discrete) to tackle issues related to flow and transport depending on the nature of the host-rock and EBS design concept. This report describes R&D efforts on disposal in argillaceous geologic media through developments of coupled THMC process models, hydrothermal experiments and characterization of clay/metal barrier material interactions, and spent fuel and canister material degradation. Currently, the THM modeling focus is on heater test experiments in argillite rock and gas migration in bentonite as part of international collaboration activities at underground research laboratories (URLs). In addition, field testing at an URL involves probing of fault movement and characterization of fault permeability changes. Analyses of barrier samples (bentonite) from heater tests at URLs provide compositional and structural data to evaluate changes in clay swelling and thermal behavior with distance from the heater surface. Development of a spent fuel degradation model coupled with canister corrosion effects has been centered towards its integration with Generic Disposal System Analysis (GDSA) to describe source term behavior. As in previous milestone deliverables, this report is structured according to various national laboratory contributions describing R&D activities applicable to clay/shale/argillite media.

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An Example of Counter-Adversarial Community Detection Analysis

Kegelmeyer, William P.; Wendt, Jeremy D.; Pinar, Ali P.

Community detection is often used to understand the nature of a network. However, there may exist an adversarial member of the network who wishes to evade that understanding. We analyze one such specific situation, quantifying the efficacy of certain attacks against a particular analytic use of community detection and providing a preliminary assessment of a possible defense.

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Evaluation of Engineered Barrier Systems in the Disposition of Spent Nuclear Fuel

Matteo, Edward N.; Hadgu, Teklu H.; Zheng, Liange; Xu, Hao; Fox, Patricia; Nico, Peter; Birkholzer, Jens; Caporuscio, Florie A.; Sauer, Kirsten B.; Rock, M.J.; Houser, L.M.

This document is a summary of the R&D activities associated with the Engineered Barrier Systems Work Package. Multiple facets of Engineered Barrier Systems (EBS) research were examined in the course of FY18 activities. This report is focused on delvering an update on the status and progress of modelling tools and experimental methods, both of which are essential to understanding and predicting long-term repository performance as part of the safety case. Specifically, the work described herein aims to improve understanding of EBS component evolution and interactions. Utlimately, the EBS Work Package is working towards producing process models for distinct processes that can either be incorporated into performance assessment (PA), or provide critical information for implementing better contraints on barrier performance The main objective of this work is that the models being developed and refined will either be implemented directly into the Genreric Disposal System Analysis platform (GDSA), or can otherwise be indirectly linked to the performance assessment by providing improved bounding conditions. In either the case, the expectation is that validated modelling tools will be developed that provide critical input to the safety case. This report covers a range of topics — modelling topics include: thermal-hydrologic-mechnicalchemical coupling (THMC) in buffer materials, comparisons of modelling approaches to optimize computational efficiency, thermal analysis for EBS/repository design, benchmarking of thermal analysis tools, and a preliminary study of buffer re-saturation processess. Experimental work reported, includes: chemical evolution and sorption behavior of clay-based buffer materials and high-pressure, high temperature studies of EBS material interactions. The work leverages international collaborations to ensure that the DOE program is active and abreast of the latest advances in nuclear waste disposal. This includes participation in the HotBENT Field Test, aimed at understanding near-field effects on EBS materials at temperatures above 100 °C, and the analysis of data and characterization of samples from the FEBEX Field Test. Both the FEBEX and HotBENT Field Tests utilize/utilized the Grimsel Test Site in Switzerland, which is situated in a granite host rock. These tests offer the opportunity to understand near field evolution of bentonite buffer at in situ conditions for either a relatively long timescale (18 years for FEBEX) or temperature above 100 °C (HotBENT). Overall, this report provides in depth descriptions of tools and capabilities to investigate nearfield performance of EBS materials (esp. bentonite buffer), as well as tools for drift-scale thermal and thermal-hydrologic analysis critical to EBS and repository design. For a more detailed description of work contained herein, please see Section 10 ("Conclusions") of this document.

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Materials and Hydrogen Isotope Science at Sandia's California Laboratory

Zimmerman, Jonathan A.; Balch, Dorian K.; Bartelt, Norman C.; Buchenauer, D.A.; Catarineu, Noelle R.; Cowgill, D.F.; El Gabaly Marquez, Farid E.; Karnesky, Richard A.; Kolasinski, Robert K.; Medlin, Douglas L.; Robinson, David R.; Ronevich, Joseph A.; Sabisch, Julian E.; San Marchi, Christopher W.; Sills, Ryan B.; Smith, Thale R.; Sugar, Joshua D.; Zhou, Xiaowang Z.

Abstract not provided.

Spectral Methods in Time-dependent Data Analysis

Kumar, Akshat

We aim to create a new model for time-dependent data analysis, named dynamical learning, that integrates data-driven manifold learning techniques with operator-theoretic methods from dynamical systems theory. This approach has the potential to deliver more efficient methods for analyzing time-dependent data, such as video streams, by naturally separating out the temporal and spatial features of the data. We aim to apply the newly developed methods to video surveillance data related to Sandia mission applications, and particularly focus on the problems of image segmentation and object tracking. This project ended early due to the departure of the PI from Sandia about 18 months into the project. Therefore, this document reports on partial progress towards the initial goals of the project. In addition, this document reports on part of the work conducted during the project; see the Appendix for a summary of all the work conducted during the 18 months.

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Metal Hydride Compression

Johnson, Terry A.; Laros, James H.; Bowman, Robert C.; Smith, Barton D.; Jensen, Craig

Conventional hydrogen compressors often contribute over half of the cost of hydrogen stations, have poor reliability, and have insufficient flow rates for a mature fuel cell vehicle market. Fatigue associated with their moving parts including cracking of diaphragms and failure of seals leads to failure in conventional compressors, which is exacerbated by the repeated starts and stops expected at fueling stations. Furthermore, the conventional lubrication of these compressors with oil is generally unacceptable at fueling stations due to potential fuel contamination. MH technology offers a very good alternative to both conventional (mechanical) and newly developed (electrochemical, ionic liquid pistons) methods of hydrogen compression. Advantages of MH compression include simplicity in design and operation, absence of moving parts, compactness, safety and reliability, and the possibility to utilize waste industrial heat to power the compressor. Beyond conventional H2 supply via pipelines or tanker trucks, another attractive scenario is the on-site generation and delivery of pure H2 at pressure (> 875 bar) for refueling vehicles at electrolysis, wind, or solar H2 production facilities in distributed locations that are too remote or widely distributed for cost effective bulk transport. MH hydrogen compression utilizes a reversible heat-driven interaction of a hydride-forming metal alloy with hydrogen gas to form the MH phase and is a promising process for hydrogen energy applications. To deliver hydrogen continuously, each stage of the compressor must consist of multiple MH beds with synchronized hydrogenation & dehydrogenation cycles. Multistage pressurization allows achievement of greater compression ratios using reduced temperature swings compared to single stage compressors. The objectives of this project are to investigate and demonstrate on a laboratory scale a twostage MH hydrogen gas compressor with a feed pressure of >100 bar and a delivery pressure > 875 bar of high purity H2 gas using the scheme shown in Figure 1. Progress to date includes the selection of metal hydrides for each compressor stage based on experimental characterization of their thermodynamics, kinetics, and hydrogen capacities for optimal performance with respect to energy requirements and efficiency. Additionally, final bed designs have been completed based on trade studies and all components have been ordered. The prototype two-stage compressor will be fabricated, assembled, and experimentally evaluated in FY19.

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HyMARC (Core): SNL Effort

Allendorf, Mark D.

Storage of hydrogen onboard vehicles is one of the critical technologies needed to create hydrogen-fueled transportation systems that can improve energy efficiency, resiliency, and energy independence reduce oil dependency. Stakeholders in developing hydrogen infrastructure (e.g., state governments, automotive original equipment manufacturers, station providers, and industrial gas suppliers) are currently focused on high-pressure storage at 350 bar and 700 bar, in part because no viable solid-phase storage material has emerged. Early-state research to develop foundational understanding of solid-state storage materials, including novel sorbents and highdensity hydrides, is of high importance because of their unique potential to meet all DOE Fuel Cell Technologies Office targets and deliver hydrogen with lower storage pressures and higher onboard densities. However, existing materials suffer from thermodynamic and kinetic limitations that prevent their application as practical H2 storage media. Sandia's overall objectives and responsibilities within HyMARC are to: (1) provide technical leadership to the Consortium at the Director level, as well as through leadership of Task 1 (Thermodynamics), Task 3 (Gas Surface Interactions), and Task 5 (Additives); (2) provide gas sorption and other property data required to develop and validate thermodynamic models of sorbents and metal hydride storage materials, including the effects of 350 bar and 700 bar H2 delivery pressures, serving as a resource for the consortium; (3) identify the structure, composition, and reactivity of gas surface and solid-solid hydride surfaces contributing to ratelimiting desorption and uptake; (4) provide metal hydrides and Metal-Organic Framework (MOF) sorbents in a variety of formats tailored for specific consortium tasks; (5) develop sample preparation methods and experimental protocols to enable facile use of the new characterization probes employed by the Consortium; (6) apply SNL multiscale codes to discover diffusion pathways and mechanisms of storage materials; and (7) elucidate the role of additives in promoting hydrogen storage reactions.

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Hydrogen Quantitative Risk Assessment

Muna, Alice B.; Ehrhart, Brian D.; Hecht, Ethan S.; Bran Anleu, Gabriela A.; Blaylock, Myra L.; LaFleur, Chris B.

DOE has identified consistent safety, codes, and standards as a critical need for the deployment of hydrogen technologies, with key barriers related to the availability and implementation of technical information in the development of regulations, codes, and standards. Advances in codes and standards have been enabled by risk-informed approaches to create and implement revisions to codes, such as National Fire Protection Association (NFPA) 2, NFPA 55, and International Organization for Standardization (ISO) Technical Specification (TS)-19880-1. This project provides the technical basis for these revisions, enabling the assessment of the safety of hydrogen fuel cell systems and infrastructure using QRA and physics-based models of hydrogen behavior. The risk and behavior tools that are developed in this project are motivated by, shared directly with, and used by the committees revising relevant codes and standards, thus forming the scientific basis to ensure that code requirements are consistent, logical, and defensible.

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Deploy threading in Nalu solver stack

Prokopenko, Andrey; Thomas, Stephen; Swirydowicz, Kasia; Ananthan, Shreyas; Hu, Jonathan J.; Williams, Alan B.; Sprague, Michael

The goal of the ExaWind project is to enable predictive simulations of wind farms composed of many MW-scale turbines situated in complex terrain. Predictive simulations will require computational fluid dynamics (CFD) simulations for which the mesh resolves the geometry of the turbines, and captures the rotation and large deflections of blades. Whereas such simulations for a single turbine are arguably petascale class, multi-turbine wind farm simulations will require exascale-class resources. The primary code in the ExaWind project is Nalu, which is an unstructured-grid solver for the acousticallyincompressible Navier-Stokes equations, and mass continuity is maintained through pressure projection. The model consists of the mass-continuity Poisson-type equation for pressure and a momentum equation for the velocity. For such modeling approaches, simulation times are dominated by linear-system setup and solution for the continuity and momentum systems. For the ExaWind challenge problem, the moving meshes greatly affect overall solver costs as re-initialization of matrices and re-computation of preconditioners is required at every time step In this Milestone, we examine the effect of threading on the solver stack performance against flat-MPI results obtained from previous milestones using Haswell performance data full-turbine simulations. Whereas the momentum equations are solved only with the Trilinos solvers, we investigate two algebraic-multigrid preconditioners for the continuity equations: Trilinos/Muelu and HYPRE/BoomerAMG. These two packages embody smoothed-aggregation and classical Ruge-Stiiben AMG methods, respectively. In our FY18 Q2 report, we described our efforts to improve setup and solve of the continuity equations under flat-MPI parallelism. While significant improvement was demonstrated in the solve phase, setup times remained larger than expected. Starting with the optimized settings described in the Q2 report, we explore here simulation performance where OpenMP threading is employed in the solver stack. For Trilinos, threading is acheived through the Kokkos abstraction where, whereas HYPRE/BoomerAMG employs straight OpenMP. We examined results for our mid-resolution baseline turbine simulation configuration (229M DOF). Simulations on 2048 Haswell cores explored the effect of decreasing the number of MPI ranks while increasing the number of threads. Both HYPRE and Trilinos exhibited similar overal solution times, and both showed dramatic increases in simulation time in the shift from MPI ranks to OpenMP threads. This increase is attributed to the large amount of work per MPI rank starting at the single-thread configuration. Decreasing MPI ranks, while increasing threads, may be increasing simulation time due to thread synchronization and start-up overhead contributing to the latency and serial time in the model. These result showed that an MPI+OpenMP parallel decomposition will be more effective as the amount per MPI rank computation per MPI rank decreases and the communication latency increases. This idea was demonstrated in a strong scaling study of our low-resolution baseline model (29M DOF) with the Trilinos-HYPRE configuration. While MPI-only results showed scaling improvement out to about 1536 cores, engaging threading carried scaling improvements out to 4128 cores — roughly 7000 DOF per core. This is an important result as improved strong scaling is needed for simulations to be executed over sufficiently long simulated durations (i.e., for many timesteps). In addition to threading work described above, the team examined solver-performance improvements by exploring communication-overhead in the HYPRE-GMRES implementation through a communicationoptimal- GMRE algorithm (CO-GMRES), and offloading compute-intensive solver actions to GPUs. To those ends, a HYPRE mini-app was allow us to easily test different solver approaches and HYPRE parameter settings without running the entire Nalu code. With GPU acceleration on the Summitdev supercomputer, a 20x speedup was achieved for the overall preconditioner and solver execution time for the mini-app. A study on Haswell processors showed that CO-GMRES provides benefits as one increases MPI ranks.

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Assessment of Commercial-Off-The-Shelf Electronics for use in a Short-Term Geostationary Satellite

Mahadeo, Dinesh M.; Rohwer, Lauren E.; Martinez, Marino M.; Nowlin, Robert N.

Commercial-Off-The-Shelf (COTS) electronics offer cutting-edge capability at lower prices compared to their space-grade counterparts. However, their use in space missions has been limited due to concerns around survivability in a space environment; COTS devices are not designed to survive the harsh radiation environment of space. Nonetheless, for space missions with short durations it may be possible to use COTS electronics. This study evaluates the use of several families of COTS electronics for a specific short-term mission. An assembled database including selected space grade and COTS components is discussed. High confidence FPGAs, microprocessors, and optocouplers COTS are identified. Medium confidence Memory, ADCs, DACs, power electronics, and RFMMICs COTS are also included, as well as testing to improve confidence in medium confidence parts. An experimental approach for evaluating tin whisker susceptibility for tin-leaded COTS components is described. Using COTS electronics in Short-Term Geostationary Satellites is feasible; this report includes enabling tools.

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Results 25601–25800 of 96,771
Results 25601–25800 of 96,771