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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Software stewardship and advancement of a high-performance computing scientific application: QMCPACK

Here, we provide an overview of the software engineering efforts and their impact in QMCPACK, a production-level ab-initio Quantum Monte Carlo open-source code targeting high-performance computing (HPC) systems. Aspects included are: (i) strategic expansion of continuous integration (CI) targeting CPUs, using GitHub Actions own runners, and NVIDIA and AMD GPUs used in pre-exascale systems, (ii) incremental reduction of memory leaks using sanitizers, (iii) incorporation of Docker containers for CI and reproducibility, and (iv) refactoring efforts to improve maintainability, testing coverage, and memory lifetime management. We quantify the value of these improvements by providing metrics to illustrate the shift towards a predictive, rather than reactive, maintenance approach. Our goal, in documenting the impact of these efforts on QMCPACK, is to contribute to the body of knowledge on the importance of research software engineering (RSE) for the stewardship and advancement of community HPC codes to enable scientific discovery at scale.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Monte Carlo Driven MDI Optimization at a Muon Collider

A Muon Collider represents a very interesting possibility for a future machine to explore the energy frontier in particle physics. However, to reach the needed luminosity, beam intensities of the order of 10⁹–10¹² muons per bunch are needed. In this context, the Beam-Induced Background must be taken into account for its effects on magnets and detector. Several mitigation strategies can however be conceived. In this view, it is of crucial importance to develop a flexible tool that allows to easily reconstruct the machine geometry in a Monte Carlo code, allowing to simulate in detail the interaction of muon decay products in the machine, while being able to change the machine optics itself to find the best configuration. In this contribution, a possible approach to such a purpose is presented, based on FLUKA for the Monte Carlo simulation and on LineBuilder for the geometry reconstruction. Results based on the 1.5 TeV machine optics developed by the MAP collaboration are discussed, as well as a first approach to possible mitigation strategies.

43 PARTICLE ACCELERATORS↗
DOE OSTI2021

Microstructural-Level Fuel Performance Modeling of U-Mo Monolithic Fuel

As the physics that governs the microstructural evolution of nuclear fuel span various time and spatial scales, to fully understand the fuel behavior inevitably involves atomic to mesoscale resolution that can be difficult to determine experimentally. Microstructural-level modeling and simulations can be used to develop physics-based materials models that can provide physical understanding to inform fabrication process control, as well as a valuable feedback mechanism between post-irradiation examination (PIE) results and fabrication parameters. In accordance with the program schedule, the primary goals of the microstructure modeling effort are to: 1. Address critical microstructural questions and provide practical guidance to the fabricator via the fuel product specification; 2. Provide mechanistic inputs for the existing fuel performance code to improve its descriptive and predictive capability at the macroscopic scale. In fiscal year (FY)-21, the work scope consisted of six main facets: (1) the effect of carbides on fuel performance; (2) gas diffusivity in different phases; (3) integration of microstructural fuel performance modeling; (4) property degradation; (5) irradiation creep; and (6) historical analysis of microstructure data. Brief summaries of each are included below.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2022

Cross-Laminated Timber Workshop: Pathways and Priorities for Cross-Laminated Timber Building Systems

A virtual workshop titled "BTO Cross-Laminated Timber Workshop: Pathways and Priorities for CLT Building Systems," was held on April 19, 2021, to identify research and development pathways, including the embodied energy content, operational energy efficiency, wall moisture profiles, structural connector durability, and health monitoring systems for CLT wall systems. In the workshop, perspectives were gathered from a wide range of stakeholders across North America from academia, the mass timber industry, trade groups, and federal government departments. The participants had knowledge in one or more areas of CLT building performance, production and construction, supply and demand dynamics of CLT panels, building codes, and recycling of CLT panels. To capture potential research opportunities from the participants in the mass timber field, the workshop was structured with the following objectives: 1. Identify the research and development opportunities to overcome technology gaps, integration issues, and market adoption challenges that are currently preventing the greater deployment of CLT, and 2. Understand what priorities and pathways are needed to advance energy efficient, high- rise CLT building systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

ACES: Infrastructure As Code. Model Optimization and Performance Capability

Infrastructure as Code (IaC) refers to managing infrastructure (networks, physical/virtual machines, storage, and connection topology) in a descriptive model/language, rather than configuring it manually or using interactive configuration tools. Just like source code can be compiled to generate the same binary code, IaC enables generating the same environment every time it is applied. IaC is a key DevOps practice and is generally used in conjunction with continuous integration (CI) and continuous delivery (CD). In CI, all code changes are merged into a mainline branch and validated multiple times a day as developers check in their changes to the source code. In CD on the other hand, code changes are automatically packaged for a new release-to-production on a regular basis. This typically enables teams to deliver software changes much more quickly and often. Developing and managing the ACES platform using (IaC) is vital for the robust deployment and continued sustainment of this foundational computing capability. IaC and DevOps practices will help us solve many of the common challenges often encountered in developing and maintaining compute infrastructure. First, it will make the provisioning, deployment, and maintenance of the compute infrastructure across multiple environments much more efficient. Second, these processes help make the overall system much more stable by continuously testing new changes as they are introduced to the system. Third, it allows us to be much more confident of the security controls in place since they can be tested as part of the CI process and all new changes can be audited and tracked. Finally, IaC enables the ACES Platform to be adaptable to the emerging technologies due to its ability to spin up different test beds to evaluate and incorporate these technologies. This document addresses common infrastructure-management challenges, describes what happens if they are not addressed, and highlights the value of utilizing IaC to tackle them. Finally, we will provide a high-level overview of the IaC and DevOps practices being utilized by the ACES Platform team.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

A Flexible Tool for Beam Induced Background Simulations at a Muon Collider

A Muon Collider represents a very interesting possibility for a future machine to explore the energy frontier in particle physics.However, to reach the needed luminosity, beam intensities of the order of $10^{9-11}$ muons per bunch are needed. In this context, the Beam Induced Background must be taken into account for its effects on the magnets and on the detector. Several optimizations can be conceived with the aim to mitigate them. In this view, it is of crucial importance to develop a flexible tool that allows to easily reconstruct the machine geometry in a Monte Carlo code, allowing to simulate in detail the interaction of muon decay products in the machine, while being able to change the machine optics itself to find the best configuration.In this contribution, a possible approach to such a purpose is presented, based on FLUKA for the Monte Carlo simulation and on LineBuilder for the geometry reconstruction.First results for the 1.5TeV machine optics developed by the MAP collaboration are discussed in this paper.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Effects of the U.S. inflation reduction act on SMR economics

The U.S. Inflation Reduction Act (IRA) of 2022 provides a wide array of tax credits and other incentives for low-carbon energy. The technology-neutral clean generation production tax credit (PTC) (Section 45Y of the U.S. Internal Revenue Code) and the technology-neutral investment tax credit (ITC) (Section 48E) lower the net cost of new electricity generation projects with zero or negative greenhouse gas emission rates. We evaluate the impact of the IRA legislation—specifically the PTC and ITC—on the cost-competitiveness of small modular reactors (SMRs). We use the Argonne Low-carbon Energy Analysis Framework (A-LEAF) model to calculate the capacity factor of an SMR with a range of hypothetical variable operating and maintenance (O&M) costs in the Electric Reliability Council of Texas (ERCOT) electricity market. We selected ERCOT for market modeling because of its competitive structure, available data, and extensive use in prior literature. We use a discounted cash flow model to calculate the SMR’s net present value based on the market prices and capacity factors from A-LEAF, hypothetical ranges of capital and variable O&M costs, and other input parameters, with or without the IRA tax credits. We determine the SMR owner’s optimal choice of PTC or ITC for the hypothetical ranges of capital and variable O&M costs. We also evaluate potential shifts in the SMR owner’s optimal choice of PTC or ITC based on historical patterns of nuclear capital cost overruns in the United States. We also assess the sensitivity of our results to longer PTC period and electricity prices from the New England market, which tend to be higher than electricity prices in ERCOT. We find that even with the IRA tax credits, only SMRs with low capital and variable O&M costs would be economically feasible in the low-price ERCOT market scenario modeled. A longer PTC period and higher-price market such as New England, however, would significantly expand the economic feasibility of SMRs in the United States.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1974

Geothermal reservoir simulation

The prediction of long-term geothermal reservoir performance and the environmental impact of exploiting this resource are two important problems associated with the utilization of geothermal energy for power production. Our research effort addresses these problems through numerical simulation. Computer codes based on the solution of partial-differential equations using finite-element techniques are being prepared to simulate multiphase energy transport, energy transport in fractured porous reservoirs, well bore phenomena, and subsidence.

Mercer, J. W., Jr.↗
NASA NTRS1977

Data processing system and interfacing elements time base analysis

The processing of time in the Orbiter System Services software and the associated facilities provided to the user community are described. The descriptions are directed toward showing the functional intent of the design rather than the actual implementation. Simplified flow diagrams are included. Based upon detailed analysis of a preliminary review copy of the Approach and Landing Test (ALT) System Software Detailed Design Specification and the Program Listings for Version 17 Prime, the processing of time has the potential for error free operations. The processing of time is not expected to change between ALT and the Operational Flight Test (OFT) other than differences in value of some constants for control and limit checking. Due to the dynamic nature of onboard time processing and its criticality to the successful operation of the orbiter, it is recommended that a comprehensive list of external variables, their locations, initial values, and a 'where used' listing be produced, as a by-product of the link edit process, for all non-HAL coding. In addition, a careful review of the verification test procedures for the System Services time-related software is recommended.

Blackburn, J. D.↗
NASA NTRS1984

Performance test results of a low cost GPS time and frequency monitor

Final prototype and pilot production performance test results was presented on a single channel C/A code GPS receiver that was optimized for time and frequency applications. Timing accuracy and stability test results are presented, as well as position determination results. Timing accuracy, timing stability, frequency stability, position accuracy and position stability are presented in the results.

Hyatt, R. C.↗
NASA NTRS1986

Composite theory applied to elastomers

Reinforced elastomers form the basis for most of the structural or load carrying applications of rubber products. Computer based structural analysis in the form of finite element codes was highly successful in refining structural design in both isotropic materials and rigid composites. This has lead the rubber industry to attempt to make use of such techniques in the design of structural cord-rubber composites. While such efforts appear promising, they were not easy to achieve for several reasons. Among these is a distinct lack of a clearly defined set of material property descriptors suitable for computer analysis. There are substantial differences between conventional steel, aluminum, or even rigid composites such as graphite-epoxy, and textile-cord reinforced rubber. These differences which are both conceptual and practical are discussed.

Clark, S. K.↗
NASA NTRS1988

Numerical simulation of hypersonic inlet flows with equilibrium or finite rate chemistry

An efficient numerical program incorporated with comprehensive high temperature gas property models has been developed to simulate hypersonic inlet flows. The computer program employs an implicit lower-upper time marching scheme to solve the two-dimensional Navier-Stokes equations with variable thermodynamic and transport properties. Both finite-rate and local-equilibrium approaches are adopted in the chemical reaction model for dissociation and ionization of the inlet air. In the finite rate approach, eleven species equations coupled with fluid dynamic equations are solved simultaneously. In the local-equilibrium approach, instead of solving species equations, an efficient chemical equilibrium package has been developed and incorporated into the flow code to obtain chemical compositions directly. Gas properties for the reaction products species are calculated by methods of statistical mechanics and fit to a polynomial form for C(p). In the present study, since the chemical reaction time is comparable to the flow residence time, the local-equilibrium model underpredicts the temperature in the shock layer. Significant differences of predicted chemical compositions in shock layer between finite rate and local-equilibrium approaches have been observed.

Yu, Sheng-Tao↗
NASA NTRS1990

Systems Engineering and Integration (SE and I)

The issue of technology advancement and future space transportation vehicles is addressed. The challenge is to develop systems which can be evolved and improved in small incremental steps where each increment reduces present cost, improves, reliability, or does neither but sets the stage for a second incremental upgrade that does. Future requirements are interface standards for commercial off the shelf products to aid in the development of integrated facilities; enhanced automated code generation system slightly coupled to specification and design documentation; modeling tools that support data flow analysis; and shared project data bases consisting of technical characteristics cast information, measurement parameters, and reusable software programs. Topics addressed include: advanced avionics development strategy; risk analysis and management; tool quality management; low cost avionics; cost estimation and benefits; computer aided software engineering; computer systems and software safety; system testability; and advanced avionics laboratories - and rapid prototyping. This presentation is represented by viewgraphs only.

Chevers, ED↗
NASA NTRS1994

Development of advanced Navier-Stokes solver

The objective of research was to develop and validate new computational algorithms for solving the steady and unsteady Euler and Navier-Stokes equations. The end-products are new three-dimensional Euler and Navier-Stokes codes that are faster, more reliable, more accurate, and easier to use. The three-dimensional Euler and full/thin-layer Reynolds-averaged Navier-Stokes equations for compressible/incompressible flows are solved on structured hexahedral grids. The Baldwin-Lomax algebraic turbulence model is used for closure. The space discretization is based on a cell-centered finite-volume method augmented by a variety of numerical dissipation models with optional total variation diminishing limiters. The governing equations are integrated in time by an implicit method based on lower-upper factorization and symmetric Gauss-Seidel relaxation. The algorithm is vectorized on diagonal planes of sweep using two-dimensional indices in three dimensions. Convergence rates and the robustness of the codes are enhanced by the use of an implicit full approximation storage multigrid method.

Yoon, Seokkwan↗
NASA NTRSDate not supplied

Fostering Open Science Inclusiveness for Interdisciplinary Users of Earth Observations

The term Open Science is subject to a variety of interpretations because of a key (and useful) ambiguity in the meaning of “Open”. Open in the sense of Transparency enables more trust in science research by making the details of the scientific process visible and accessible to anyone. “Open” in the sense of Inclusiveness enables more scientists from other disciplines to participate in research in a given discipline, thus producing more interdisciplinary research. Data Systems can play a major role in enabling Open (Inclusive) Science by making it easier for users from other disciplines to work with data within a given discipline. This is challenging for Earth Observation datasets, most of which are the product of advanced instrumentation and sophisticated, specialized variable retrieval algorithms and code. Serving the “extra-disciplinary”communities begins with simple things, like accessible, readable data documentation with adequate scaffolding. But just as important is provisioning Analysis-Ready data that does not require expert pre-processing. Disciplines also often have dominant toolsets, such as R in the biomass community or GIS in many applications communities. Ensuring that EO data are easy to use in the tools favored in other communities will enable more interdisciplinary research. Ideally, interdisciplinary research also benefits from scientists with different domain expertise. Platforms and frameworks that facilitate frictionless collaboration with discipline experts, together with capacity building efforts in those external disciplines also improve the inclusiveness aspect of Open Science. In short, Open Science is at root a way of thinking about how users from diverse discipline can best access and use data and services from a particular discipline.

Christopher Lynnes↗
NASA NTRSDate not supplied

Coupling CFD and Material Response for Analysis of Mars Entry

In computing the response of an ablating thermal protection system during atmospheric entry, the aerothermal environment and material response are generally computed separately with a blowing correction term in the material response model to account for the blowing of char and pyrolysis gases [1]. In this work, we apply a coupled approach in which pyrolysis blowing gases, computed in the PATO material response code [2], are used with a blowing boundary condition in the DPLR hypersonic CFD code [3]. This leads to an iterative method in which blowing products from PATO are input into DPLR to update surface heating estimates. The full iterative method, with the addition of radiative heating estimates using the NEQAIR radiation solver [4], is shown in Fig. 1. The method is demonstrated on a sphere case with the environment and material properties based on the Mars Science Laboratory entry. Future work includes utilizing this method in computing full 3D material response during the Mars 2020 entry.

Heat Transfer↗
DOE OSTI2025

Development for Integrated System-Level Analysis Capabilities in SAM for Molten Salt Reactors

In recent years, there has been renewed interest in Molten Salt Reactors (MSRs) for their potential advantages compared to reactors that rely on solid fuel. In response to such interest, many methods and codes have been developed to capture the unique features of MSRs. Among them, the System Analysis Module (SAM) is a modern system analysis tool that provides fast-running, modest-fidelity, whole-plant transient analysis capabilities, essential for fast-turnaround design scoping and engineering analyses of advanced reactor concepts. For liquid-fuel MSRs, the complex physics and chemistry involved in MSR operation—such as reactor kinetics, fluid flow, heat transfer, and salt composition dynamics—pose significant challenges for system-level modeling. Specific modeling capabilities are needed for system-level transient simulation. This paper presents recent advancements in SAM capability enhancements for system-level modeling of MSRs, focusing on improved simulation fidelity, computational efficiency, and multi-physics integration. Key enhancements include the development of species transport, Delayed Neutron Precursor (DNP) drift, modified Point Kinetics Equations (PKE), decay heat modeling, key fission product behavior, salt corrosion, and thermal-hydraulic coupling, as well as code robustness and performance enhancements for MSR applications. The code enhancement allows for better predictive accuracy in safety analysis, transient behavior, and operational optimization, thus supporting the design and licensing of next-generation MSRs. Results from case studies are presented to demonstrate the benefits of these enhancements in accurately capturing key reactor transient behaviors.

Hu, Rui (ORCID:0000000237712920)↗
DOE OSTI2023

Neutron (and other Particle) Transport at LANL: An Overview [Presentation]

For decades, Los Alamos National Laboratory has been at the forefront of neutron transport methods research and code development. One such code is PARTISN, the LANL parallel time-dependent discrete ordinate neutron transport code. In this presentation, we describe the various research efforts currently underway by the PARTISN and other code teams. Some examples of current research are a block automated mesh refinement scheme, the application of tensor trains to the discretized neutron transport equation, and GPU code porting. The block automated mesh refinement scheme uses cross section information to refine and coarsen the solution mesh to improve time to solution and reduce memory. The tensor train approach expresses discretized transport operators as tensor products of vectors and matrices to compress the size of linear systems being solved by transport codes. Rather than relying on matrix-free methods such as the transport sweep, we have access to an operator that can be inverted, reshaped, or manipulated algebraically. Finally, we describe how PARTISN is used, what problems we are looking to solve, and what the future holds for neutron transport at LANL. In addition to this, we briefly describe the various research efforts in other particle transport teams using both deterministic and Monte Carlo methods. In the presentation, we list possible opportunities for collaboration between the laboratory and faculty and students.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗