Publications

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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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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.

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.

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.

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.

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.

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 indirect and 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 indirect-funded 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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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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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.

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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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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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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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 delivering 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 constraints on barrier performance The main objective of this work is that the models being developed and refined will either be implemented directly into the Generic 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-mechanical-chemical 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 processes. 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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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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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.

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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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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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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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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This report explores the coupling between EIGER simulations and a transmission line analytical model to enable end-to-end simulations to translate an exterior electromagnetic environment to assess effects on electronic system performance.

The Xyce General External Coupling API is documented.

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Dosimetry results from 1 January 2008 through 31 December 2017 were reviewed to demonstrate that radiation protection methods used at Sandia National Laboratories are compliant with regulatory limits and consistent with the philosophy to keep exposures to radiation As Low As is Reasonably Achievable (ALARA). Personnel dosimetry (external and internal) and environmental thermoluminescent dosimeter results were reviewed for the Sandia National Laboratories in New Mexico, California, and Nevada. ALARA is a philosophical approach to radiation protection by managing and controlling radiation exposures (individual and collective) to the work force and to the public to levels that are As Low As is Reasonably Achievable taking social, technical, economic, practical, and public policy considerations into account. ALARA is not a dose limit but a planning tool with the objective to keep doses below applicable dose limits As Low As is Reasonably Achievable. In the case of Sandia National Laboratories, formal ALARA goals are not needed since Collective and individual doses are well below applicable limits through operational ALARA practices implemented during Work Planning and Control activities.

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The limiting frequency resolution of a PDV measurement is: σf = $\sqrt\frac{6 η}{fsτ^3π}$ where f_s is the sample rate, τ is the analysis time duration, and 11 is the noise fraction. Although T is a strong lever for reducing uncertainty, this parameter must be kept small to preserve time resolution. Consider a PDV measurement with sampled at 80 GS/s and analyzed in 1 ns durations. A 1% noise fraction corresponds to 0.87 MHz of frequency uncertainty, which at 1550 nm works out to 0.68 m/s. A 10% noise fraction has a limiting velocity resolution of about 7 m/s; for comparison, a VISAR system with similar response time (0.5 ns delay, 532 m/s fringe constant) would have a limiting uncertainty of 5-6 m/s. Noise fractions of 10-20% or less are desirable for measurements at this time scale.

Predicting chemical-mechanical fracture initiation and propagation in materials is a critical problem, with broad relevance to a host of geoscience applications including subsurface storage and waste disposal, geothermal energy development, and oil and gas extraction. In this project, we have developed molecular simulation and coarse- graining techniques to obtain an atomistic-level understanding of the chemical- mechanical mechanisms that control subcritical crack propagation in materials under tension and impact the fracture toughness. We have applied these techniques to the fracture of fused quartz in vacuum, in distilled water, and in two salt solutions - 1M NaC1, 1M NaOH - that form relatively acidic and basic solutions respectively. We have also established the capability to conduct double-compression double-cleavage experiments in an environmental chamber to observe material fracture in aqueous solution. Both simulations and experiments indicate that fractures propagate fastest in NaC1 solutions, slower in distilled water, and even slower in air.

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Energy, environmental, and economic challenges are spurring more widespread consideration and use of energy storage systems (ESSs), which in turn are driving increased development of new ways to store energy electrochemically, mechanically, and thermally. These new methods necessitate an increased focus on ensuring that public health, safety, and welfare are not adversely affected—something that has been addressed for many years through codes, standards, and regulations (CSR5)1. CSRs provide requirements that establish a basis for determining if an ESS is safe, whether electrochemical, mechanical, or thermal and regardless of the range of ESS applications, energy capacities, physical sizes, location, or number installed at any given site. The key to achieving desired safety goals, as memorialized through CSRs, is through documenting and validating compliance with applicable CSRs. The process of documenting and validating compliance, which is a key component to the initial approval as well as continuing acceptance of an ESS installation, is generally called conformity assessment.

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In October the team merged in updated ATDM/Trilinos configuration to include SPARC requirements. Assisted and worked on issues identified by the EMPIRE switchover to the ATDM/Trilinos configuration. Progress was made on automating dashboard triaging. Discovered and began addressing issues with mixed language calling with gcc-7.2 on Power8. Worked on new Python tool to filter CDASH reports to only show new issues. Completed ECP ST review. In October the team put an algorithm in place to prevent inverted elements in SPARC during refinement and worked on tests to morph mesher and should be ready for SGM integration soon. The team worked on solver rebalance and corrected issues. Complete SIMD work. Worked out next steps for solver improvements for EMPIRE. Adjusted some solver settings and to improve performance; strong scaling curves are flat instead of ascending etc. Worked on optimizing kernels for SPARC. Completed ECP ST reviews. The team worked on cleaning up branch for merge into SPARC master dev branch. Progress was made building scripts for catalyst builds on all HPC platforms of interest. Worked on adding TuckerMPl reader as plugin for catalyst. Completed ECP project review. Work has continued on NimbleSM, which now runs in a container and can be used modularly with an MPI code. The team also made progress on a qthreads version of NibleSM. Worked on build system issues within NimbleSM and Sierra for GPUs. Progressed on getting kookfied material models in NimbleSM. The team incorporated panel feedback form ECP project reviews into FY19 plans.

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The Reproducing Kernel Particle Method (RKPM), a meshfree method, has been implemented in Sandia's Sierra/Solid Mechanics in a collaboration between Sandia and the University of California San Diego's Center for Extreme Events Research (UCSD/CEER). Meshfree methods, like RKPM, have an advantage over mesh-based methods, like the Finite Element Method (FEM), in applications where achieving or maintaining a quality mesh becomes burdensome or impractical. For example, using FEM for problems with very large deformations will result in poor element Jacobians which causes problems with the parametric mapping. RKPM constructs the approximation functions in the physical domain, circumventing the parametric mapping issue. Also, reconstructing the approximation functions at very large deformations is straight-forward. RKPM has an advantage over traditional meshfree methods such as Smoothed-Particle Hydrodynamics (SPH) due to its ability to reproduce linear or higher-order functions exactly. This removes the tensile instabilities that are present in SPH and allows preservation of angular momentum. The point of this memo is to explore the capabilities and limitations of the current implementation by testing it on three different applications: 1) a quasi-static ductile shearing problem 2) a dynamic concrete panel perforation problem and 3) a set of dynamic metal panel perforation problems. In summary, areas where RKPM appears to be a promising alternative to current methods have been identified. Also, outstanding inefficiencies and issues (bugs) with code are noted, ways to improve the capabilities using material from literature are mentioned and areas deserving of new research are highlighted.

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This report represents completion of milestone deliverable M2SF-18SNO10309013 "Inventory and Waste Characterization Status Report and OWL Update that reports on FY2018 activities for the work package (WP) SF-18SNO1030901. This report provides the detailed final information for completed FY2018 work activities for WP SF-18SN01030901, and a summary of priorities for FY2019. This status report on FY2018 activities includes evaluations of waste form characteristics and waste form performance models, updates to the OWL development, and descriptions of the two planned management processes for the OWL. Updates to the OWL include an updated user's guide, additions to the OWL database content for wastes and waste forms, results of the Beta testing and changes implemented from it. There are two processes being planned in FY2018, which will be implemented in FY2019. One process covers methods for interfacing with the DOE SNF DB (DOE 2007) at INL on the numerous entries for DOE managed SNF, and the other process covers the management of updates to, and version control/archiving of, the OWL database. In FY2018, we have pursued three studies to evaluate/redefine waste form characteristics and/or performance models. First characteristic isotopic ratios for various waste forms included in postclosure performance studies are being evaluated to delineate isotope ratio tags that quantitatively identify each particular waste form. This evaluation arose due to questions regarding the relative contributions of radionuclides from disparate waste forms in GDSA results, particularly, radionuclide contributions of DOE-managed SNF vs HLW glass. In our second study we are evaluating the bases of glass waste degradation rate models to the HIP calcine waste form. The HIP calcine may likely be a ceramic matrix material, with multiple ceramic phases with/without a glass phase. The ceramic phases are likely to have different degradation performance from the glass portion. The distribution of radionuclides among those various phases may also be a factor in the radionuclide release rates. Additionally, we have an ongoing investigation of the performance behavior of TRISO particle fuels and are developing a stochastic model for the degradation of those fuels that accounts for simultaneous corrosion of the silicon carbide (SiC) layer and radionuclide diffusion through it. The detailed model of the TRISO particles themselves, will be merged with models of the degradation behavior(s) of the graphite matrix (either prismatic compacts or spherical "pebbles") containing the particles and the hexagonal graphite elements holding the compacts.

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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.

This document is a reference guide to the Xyce Parallel Electronic Simulator, and is a companion document to the Xyce Users' Guid [1] . 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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This study examines methods that can help maximize confidence in maintaining Continuity of Knowledge (CoK) on plutonium-bearing wastes, from a final safeguards-verification measurement through emplacement underground. The study identifies Containment and Surveillance (C/S) measures that can be applied during packaging of plutonium wastes at the Savannah River Site (SRS) in South Carolina, USA, through shipment to, and receipt and disposal at the Waste Isolation Pilot Plant (WIPP) near Carlsbad, New Mexico, USA. Results of this study could apply to countries with a Comprehensive Safeguards Agreement (CSA) that plan to dispose in a geological repository plutonium or other non-fuel nuclear materials that are under international safeguards.

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The purpose of this document is to provide an initial overview of (new) information regarding the gaps in DOE's work on High Performance Computing(HPC), Machine Learning and Algorithms (IVILA) and Human Systems(HS) emerging from the Sep. 2018 Summit, and to briefly forecast the attendee community's next steps.

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Personnel at Sandia National Laboratories (hereinafter referred to as Sandia) comply with U.S. Department of Energy (DOE) P 450.4A, Chg 1, Integrated Safety Management Policy, and implement an Integrated Safety Management System (ISMS) to ensure safe operations. Sandia personnel integrate safety into management and work practices at all levels so that missions are accomplished while protecting Members of the Workforce, the public, and the environment. As a result, safety is effectively integrated into all facets of work planning and execution. Thus, the management of safety functions becomes an integral part of mission accomplishment and meets the requirements outlined in the DOE Acquisition Regulation (DEAR) 970.5223-1, Integration of Environment, Safety, and Health into Work Planning and Execution clause incorporated into the Prime Contract. The DEAR 970.5223-1, Integration of Environment, Safety, and Health into Work Planning and Execution clause requires DOE contractors to manage and perform work in accordance with a documented Safety Management System that fulfills conditions of the DEAR clause, at a minimum. For purposes of this clause, safety encompasses environment, safety, and health, including pollution prevention and waste minimization.

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Through a series of measurements with a high purity germanium detector, we have established that the past presence of neutron emitting material can be detected by the decay of activation products in aluminum containers, tungsten shielding, and concrete floors even several days after last exposure. The time since last exposure can also be estimated by the gamma-ray detection rate. These findings may lead to interesting new CONOPS in the detection of illicit SNM or the verification of the absence (or presence) of SNM containing objects in facilities and/or transit even after the material has been removed.

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Angle of incidence response of a photovoltaic module describes its light gathering capability when incident sunlight is at an orientation other than normal to the module's surface. At low incident angles (i.e. close to normal), most modules have similar responses. However, at increasing incident angles, reflective losses dominate response and relative module performance becomes differentiated. Relative performance in this range is important for understanding the potential power output of utility - scale ph otovoltaic systems. In this report, we document the relative angle of incidence response of four utility - grade panels to each other and to four First Solar modules. We found that response was nearly identical between all modules up to an incident angle of ~55°. At higher angles, differences of up to 5% were observed. A module from Yingli was the best performing commercial module while a First Solar test module with a non - production anti - reflective coating was the best overall performer. This page left blank

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