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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,603 records · Page 89

An Efficient Multicore Implementation of a Novel HSS-Structured Multifrontal Solver Using Randomized Sampling

Here, we present a sparse linear system solver that is based on a multifrontal variant of Gaussian elimination and exploits low-rank approximation of the resulting dense frontal matrices. We use hierarchically semiseparable (HSS) matrices, which have low-rank off-diagonal blocks, to approximate the frontal matrices. For HSS matrix construction, a randomized sampling algorithm is used together with interpolative decompositions. The combination of the randomized compression with a fast ULV HSS factoriz ation leads to a solver with lower computational complexity than the standard multifrontal method for many applications, resulting in speedups up to 7 fold for problems in our test suite. The implementation targets many-core systems by using task parallelism with dynamic runtime scheduling. Numerical experiments show performance improvements over state-of-the-art sparse direct solvers. The implementation achieves high performance and good scalability on a range of modern shared memory parallel systems, including the Intel Xeon Phi (MIC). The code is part of a software package called STRUMPACK - STRUctured Matrices PACKage, which also has a distributed memory component for dense rank-structured matrices.

97 MATHEMATICS AND COMPUTING↗

High-Fidelity Numerical Investigation on Elucidating Sodium Heat Transfer Characteristics for 37-Pin Wire-Wrapped Fuel Bundle in the PLANDTL Facility

This study involved a Reynolds-averaged Navier-Stokes- (RANS-) based computational fluid dynamics (CFD) analysis of the 37-pin wire-wrapped fuel bundle of the PNC Plant dynamics test loop (PLANDTL) facility. Previously, mainly the hydrodynamic phenomena of the wire-wrapped fuel bundle were analyzed, but the present study additionally included heat transfer analysis through conjugate heat transfer. The main purpose of the study was to benchmark the experimental data of the PLANDTL 37-pin wire-wrapped fuel bundle to investigate the heat transfer phenomena. In addition, the aim was to verify the accuracy of the RANS-based CFD analysis method using the STAR-CCM+ simulation software in comparison with the experimental data. The grid used for verification was an innovative grid system consisting of hexahedra using Fortran-based code. The development of the RANS-based CFD methodology included grid sensitivity analysis, turbulence model sensitivity analysis, and turbulent Prandtl number sensitivity analysis. Information on the temperature, mass flow rate, and area of the CFD results for each subchannel was provided for the top of the heated section and is expected to serve as a reference for future studies aiming to perform the validation and verification of a PLANDTL facility. In addition, the dependence of the peak temperature on the azimuth angle of each pin was analyzed.

97 MATHEMATICS AND COMPUTING↗

Stochastic Hybrid Models and Algorithms for Fluids (FHDeX) v1

This software contains numerical modules and application codes for studying the behavior of fluid dynamical systems where fluctuations play an important role in the dynamics. There is support for finite-volume/finite-difference solvers for partial differential equations, particle methods, and hybrid fluid-particle approaches.

Bell, JohnB.↗

Screamer version 4.1

Screamer is a special purpose circuit code developed for the design of Pulsed Power systems. It models electrical circuits which have a restricted topology in order to provide a fast-running tool while still allowing configurations general enough for most Pulsed Power system designs

Spielman, Rick↗

Icypaw

The Intermode Communication Protocol Wrapper, or Icypaw, structures and facilitates communication between endpoints in a network. It is used to connect various independent software and hardware components into one loosely organized system controllable from one or more locations. The code uses the MQTT protocol to communicate and enhances it with a useful framework. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2021-8293 O

Van Der Wall, JayW.↗

Structural Code Considerations for Solar Rooftop Installations

Residential rooftop solar panel installations are limited in part by the high cost of structural related code requirements for field installation. Permitting solar installations is difficult because there is a belief among residential permitting authorities that typical residential rooftops may be structurally inadequate to support the additional load associated with a photovoltaic (PV) solar installation. Typical engineering methods utilized to calculate stresses on a roof structure involve simplifying assumptions that render a complex non-linear structure to a basic determinate beam. This method of analysis neglects the composite action of the entire roof structure, yielding a conservative analysis based on a rafter or top chord of a truss. Consequently, the analysis can result in an overly conservative structural analysis. A literature review was conducted to gain a better understanding of the conservative nature of the regulations and codes governing residential construction and the associated structural system calculations.

Dwyer, Stephen F.↗

Numerical Estimation of the Spent Fuel Ratio

Sabotage of spent nuclear fuel casks remains a concern nearly forty years after attacks against shipment casks were first analyzed and has a renewed relevance in the post-9/11 environment. A limited number of full-scale tests and supporting efforts using surrogate materials, typically depleted uranium dioxide (DUO 2 ), have been conducted in the interim to more definitively determine the source term from these postulated events. However, the validity of these large- scale results remain in question due to the lack of a defensible spent fuel ratio (SFR), defined as the amount of respirable aerosol generated by an attack on a mass of spent fuel compared to that of an otherwise identical surrogate. Previous attempts to define the SFR in the 1980's have resulted in estimates ranging from 0.42 to 12 and include suboptimal experimental techniques and data comparisons. Because of the large uncertainty surrounding the SFR, estimates of releases from security-related events may be unnecessarily conservative. Credible arguments exist that the SFR does not exceed a value of unity. A defensible determination of the SFR in this lower range would greatly reduce the calculated risk associated with the transport and storage of spent nuclear fuel in dry cask systems. In the present work, the shock physics codes CTH and ALE3D were used to simulate spent nuclear fuel (SNF) and DUO 2 targets impacted by a high-velocity jet at an ambient temperature condition. These preliminary results are used to illustrate an approach to estimate the respirable release fraction for each type of material and ultimately, an estimate of the SFR. This page intentionally blank

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Verification of the DIF3D Software to Support Fast Reactor Analysis

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the polynomial order used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Terry Turbopump Expanded Operating Band Modeling and Simulation Efforts in Fiscal Year 2020 - Progress Report

The Terry Turbine Expanded Operating Band Project is currently conducting testing at Texas A&M University as part of a revised experimental program meant to supplant previous full-scale testing plans under the headings of Milestone 5 and Milestone 6. In consultation with Sandia National Laboratories technical staff and with modeling and simulation support from the same, the hybrid Milestone 5&6 plan is moving forward with experiments aimed at addressing knowledge gaps regarding scale, working fluid, and turbopump self-regulation. Modeling and simulation efforts at Sandia National Laboratories in FY20 fell under the broad umbrella of Milestone 7 and consisted exclusively of MELCOR-related tasks aimed at: 1) Constructing/improving input models of Texas A&M University experiments, 2) Constructing a generic boiling water reactor input model according to best practices with systems-level Teny turbine capabilities, and 3) Adding code capability in order to leverage experimental data/findings, address bugs, and improve general code robustness Project impacts of the Covid-19 pandemic have fortunately been minimal thus far but are mentioned as necessary when discussing the hybrid Milestone 5&6 progress as well as the corresponding Milestone 7 modeling and simulation progress.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Data-Driven Exploration of Climate Attractor Manifolds For Long-Term Predictability

Focal Area: This white paper responds to Focal Area 3. We seek to gain insight into decadal-scale climate predictability by applying novel manifold-finding probabilistic AI techniques to the complex data produced by Earth System models (ESMs) such as E3SM. The associated portfolio of research activities leverages DOE’s asset mix of HPC platforms, climate expertise, climate simulation codes, and AI expertise. Science Challenge: Climate and climate models are dynamical systems exhibiting properties that are interpretable through chaos theory. The theory contains an important concept that is relevant to multi-decade-scale climate prediction: a chaotic attractor. While the space containing all the possible states of the Earth’s atmosphere and ocean, the possible weather, is large, the realized states tend to stay near the smaller-dimensioned attractor. This behavior is responsible for the “order behind the irregularity” [1] of climate phenomena. Climate change can be thought of as a change in the properties of the attractor, and predicting the climate over years to decades is equivalent to predicting how those properties will change. To date, the attractor has been a useful conceptual tool, but has not been amenable to direct characterization. A new development is the advent of efficient high-dimensional manifold-finding probabilistic AI techniques, which permit a data-driven characterization of the ESM attractor and its probability distribution over weather states. Such a characterization would result in a natural dimensional reduction — a “non-linear Principal Components Analysis (PCA) adapted to climate simulation data” — leading to important advances in scenario-based long-term climate prediction, long-term prediction of water cycle extremes, ESM verification, inter-model comparison, and process model development.

54 ENVIRONMENTAL SCIENCES↗

Instabilities driven by the fundamental crabbing mode

The Electron Ion Collider (EIC) requires crab cavities to correct for crossing angle effects. These cavities produce a time varying horizontal kick that makes the collision head on in the center of mass frame of the bunches. This results in a luminosity that is very close to the the luminosity obtained without a crossing angle. Producing the kick requires a transverse RF field. This field requires a superconducting resonator and reasonable power levels require loaded quality factors of order a million. This results is a very large transverse impedance for the crabbing mode. The horizontal beta function is large and this, coupled with the large transverse impedance of the resonator can lead to strong instabilities. In the first section of the paper a simple model is used to describe the situation without feedback. There are large ranges of tune leading to strong instabilities in both the electron and hadron storage rings of the EIC. These estimates are confirmed with simulations. In the second section, RF feedback is used to reduce the apparent impedance of the crabbing mode. Simulating the actual feedback would require both a significant rewrite of the tracking code and a significant reduction in computational speed. Instead, the apparent impedance is fitted using one pole filters, which allows use of the existing simulation code. In the third section a transverse damping system is outlined.

43 PARTICLE ACCELERATORS↗

Verification of the DIF3D Software to Support Fast Reactor Analysis

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. As some additional changes have been made to the ARC software since this point all versions between release 3012 and 3266 can be considered verified as version 3253 was used for all updates in this revision. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the methodology used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative noting that DIF3D will properly notify the user when the peaking values it is providing are potentially incorrect.

97 MATHEMATICS AND COMPUTING↗

Application Results on Early Exascale Hardware

This Exascale Computing Project (ECP) milestone report summarizes the status of 27 of the 31 ECP Applications Development (AD) subprojects at the end of FY21. In November and December of 2021, a comprehensive assessment of AD projects was conducted by the ECP leadership along with external subject matter experts (SMEs). (NNSA application projects are reviewed separately using the ASC milestone process.) The AD review committee—consisting of the AD lead, AD deputy, Level 3 (L3), and at least one external project SME—was tasked with evaluating each project’s progress relative to ECP project goals specified in the FY21 timeline. Key areas of focus were code maturity and performance on pre-exascale systems, an in-depth analysis of final key performance parameter (KPP) verification contracts, and future R&D priorities in the final year of ECP and beyond. As such, this report contains not only an accurate snapshot of each subproject’s current status but also represents a broad account of successes and challenges in porting large scientific applications to DOE’s next-generation high-performance computing architectures – the Frontier and Aurora systems.

97 MATHEMATICS AND COMPUTING↗

Verification of the DIF3D Software to Support Fast Reactor Analysis (Rev. 3)

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. DIF3D is central to this system. The driver for this effort requires the 3D Cartesian, triangular-Z, and hexagonal-Z core geometry options of DIF3D be verified. Previous work identified the DIF3D features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying DIF3D’s ability to correctly translate the user’s model in to DIF3D’s preferred format, verifying that options planned for use have the desired effect, and verifying the correctness of the eigenvalue, fixed-source, forward, and adjoint solvers in DIF3D-FD and DIF3D-VARIANT. This manuscript provides the verification tasks and their results with respect to the features needed for current design activities. Since analytic solutions of the neutron diffusion and transport equations are either limited in scope or not possible, multiple tiers of problems unique to each solver and geometry type were implemented. Each of these tiers tests features independent and complementary arguments for why the separate testing of functionalities is acceptable. Finally, this separate testing was also supplemented with a high-level integral check of each the diffusion and transport capabilities and applicable geometries. To accommodate cases which an analytic solution is not feasible, MCNP6.2 was relied upon to provide a higher-order reference solution. This therefore required that the capabilities within MCNP6.2 which were relied upon for this work are also verified in this work. No MCNP discrepancies were noted in this effort. Note that the MCNP6.2 verification included in this work does not stand as a full verification of MCNP6.2, but merely verifies the features used in verifying DIF3D. The verification effort identified no issues that are debilitating or otherwise impactful to design usage of DIF3D, and thus DIF3D version 11.0, release 3012 is considered verified. As some additional changes have been made to the ARC software since this point all versions between release 3012 and 3266 can be considered verified as version 3253 was used for all updates in this revision. The types of issues that were identified were predominantly in the areas of: unclear documentation, software bugs which were inconsequential to final results, editing options which were ignored in favor of printing more information than requested, bugs in the outputs of intermediate results, or secondary output binary file information which was not present. While not a bug, this verification report also identified that the algorithm used to evaluate the peak fast flux in a nodal transport solution can be quite unreliable due to the methodology used and the location of the peak within the mesh. The authors of the report therefore recommend the usage of the EvaluateFlux software (distributed with ARC) as a more robust alternative noting that DIF3D will properly notify the user when the peaking values it is providing are potentially incorrect.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Application of NEAMS Multiphysics Framework for Species Tracking in Molten Salt Reactors

This report from Idaho National Laboratory (INL) summarizes the key modeling and simulation activities conducted under the Department of Energy (DOE) Molten Salt Reactor (MSR) Campaign during the Fiscal Year 2023 (FY23). The focus of the work was to leverage state-of-the-art modeling capabilities from the DOE Nuclear Energy Advanced Modeling and Simulation (NEAMS) codes to enable novel multiphysics and multiscale modeling and simulation of MSRs. Through collaboration with NEAMS code developers, advanced multiphysics analysis capabilities for MSR systems were demonstrated by coupling depletion, thermal-hydraulics, and thermochemistry into an innovative framework for chemical species transport in MSRs. As a result, the framework can track nuclides throughout their lifetimes in the core, from production (depletion) to advection throughout the salt volume (thermal-hydraulics) and off-gassing or precipitation outside of the salt (thermochemistry). This work supports the near-term deployment of MSRs by integrating the synergistic efforts between the DOE’s MSR Campaign and NEAMS program. The resulting framework will help better connect system design modelers with experimentalists to better understand and predict complex physical behaviors in MSRs. Researchers and MSR developers alike can now leverage these new modeling and simulation capabilities to perform novel analyses with applications including: • MSR dynamics during normal operational transients and accident scenarios • Off-gas system design and performance for fuel cycle and depletion analysis • Corrosion and active chemistry control for reactor component health and lifetime determination • Source term, decay heat and activity determination in accident scenarios • Special nuclear material accountancy and chemical forensic analysis for safeguards • Digital twin development of experiments and experimental reactor demonstrations • Measurement requirements for instrumentation and control design • Uncertainty and sensitivity analysis of missing data to inform future experimental data collection.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Creating the Distributed Energy Resources Education Center (DEREC)

The built environment in the United States consumes 40% of the energy generated and emits roughly the same percentage of total carbon footprint. Distributed energy resources (DER), small or modular energy generation and storage technologies, present the nation with an opportunity to substantially improve those metrics while securing the nation’s energy independence. As opportunities increase for implementing such technologies, they also continue to evolve and often outpace the nation’s traditional building practices. In an effort to effectively and proactively incorporate distributed energy resources into the nation’s energy supply, Southface Energy Institute convened with national and regional partners to create the Distributed Energy Resources Education Center (DEREC). Using national model codes and their regionally amended versions as a collective starting point, the DEREC team collaborated with industry experts and identified impediments to effective implementation of DERs, developing discipline-specific curriculum to eliminate those impediments. The center, developed in collaboration with Interstate Renewable Energy Committee (IREC) and National Buildings Institute (NBI), leverages existing DER education content as well as new and dynamic training materials and online courses that collectively engage the many roles necessary for DER implementations, including designers, code officials, builders and skilled trades, and building owners who specify, inspect, build, operate, and maintain buildings with DERs.

14 SOLAR ENERGY↗

Verification of the REBUS Software

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. REBUS is central to this system. The driver for this effort requires the Triangular-Z and hexagonal-Z core geometry options of REBUS to be verified. Previous work identified the REBUS features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying REBUS’s ability to correctly intepret the user input model, verifying that the features identified yield the intended results, and verifying the correctness of the REBUS output tables. The REBUS software verification relies heavily upon the accuracy of the embedded DIF3D software, the verification of which was completed and documented elsewhere. Given that DIF3D produces an accurate solution, the primary focus of the verification in the REBUS software is to ensure that it properly uses the DIF3D solution and that the depletion system (Bateman equations) are correctly implemented. This manuscript reiterates the verification tasks and displays results with respect to the features needed for current design activities. Analytic solutions of the Batemen equations are displayed and the results calculated with REBUS are displayed demonstrating the accuracy. Since coupled Bateman and neutron diffusion/transport solutions are extremely difficult to obtain, much of the focus is placed on how REBUS uses a given DIF3D solution assuming the accuracy of the DIF3D solution. The verification effort identified no issues that are debilitating or otherwise impactful to the design usage of REBUS, and thus REBUS version 11.0, release 3012 is considered verified. It is important to note that several outputs of REBUS are identified to be inaccurate, such as burnup in MWD/MT. Most of the relevant ones for VTR are generally accurate with 10-20% errors which is not impactful as all regular REBUS users are aware of this issue and know how to hand calculate the results. The REBUS manual further makes it clear that these values are consistent with the methodology being used by REBUS and thus the “errors” are more of an inconsistent definition with respect to what a user would expect given a definition in literature. Other issues that were identified included unclear documentation and software bugs all of which were inconsequential to the final results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗