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DOE OSTI2026

Development of SAM Code Capabilities for Safety Analysis of GCR Air-ingress Events

Air-ingress following a depressurized loss-of-forced-cooling (DLOFC) event is a challenging, multiphysics safety scenario for High-Temperature Gas-Cooled Reactors (HTGRs), involving coupled gas composition transport, buoyancy-driven flow redistribution, graphite oxidation, and structural heat-up. Despite its importance — air ingress is a key scenario identified in the PIRT process for the HTGRs — existing system-level safety codes have lacked the integrated capability to simulate the complete event sequence with high confidence. This report documents the development, validation, and demonstration of three new capabilities in the SAM code to address this gap: (1) a multi-component gas mixture flow model with binary diffusion to track the helium-air composition and its effect on system density and flow; (2) a 0-D graphite oxidation model based on the Roes correlation, including oxygen consumption and exothermic heat release; and (3) an isentropic critical flow model for accurate representation of primary system depressurization through a break. These capabilities are validated against two benchmark experiments. The NSTF heavy-gas ingress experiment validates the multi-component flow model: SAM correctly reproduces the rapid buoyancydriven flow stagnation and subsequent natural circulation recovery driven by composition-dependent density changes. The NACOK graphite oxidation experiment validates the oxidation model: SAM predicts a bottom-level graphite weight loss of 25%, in close agreement with the measured 24%, and reproduces the strong axial nonuniformity and block-geometry dependence of oxidation, at a level comparable to the SPECTRA and TINTE codes. The validated capabilities are then exercised together in an integrated, reactor-scale simulation of a DLOFC air-ingress transient in a simplified HTR-PM pebble-bed reactor. In a single calculation spanning approximately 8 days, SAM reproduces the complete accident sequence: rapid depressurization, densityand diffusion-driven air ingress over ˜15 hours, onset of buoyancy-driven natural circulation, exothermic graphite oxidation with a peak fuel temperature at ˜62 hours, and eventual passive cooldown. These results demonstrate that SAM now provides the nuclear community with a preliminarily validated, modern systemlevel tool for HTGR air-ingress safety analysis, filling a recognized capability gap. Future extensions to broaden species tracking, improve oxidation chemistry, and refine the reactor model are discussed.

Yang, Gang↗

NASA NTRSDate not supplied

New Developments in the CompDam Fiber Kinking Model for the Interaction of Kinking and Splitting Cracks with Application to Open Hole Compression Specimens

This paper describes two new additions to the NASA fiber kinking model: 1) A failure index for fiber kinking is developed to facilitate interaction between kinking and matrix cracking and 2) A criterion for fiber rupture is introduced to account for fiber breakage before or after fiber kinking. The model formulation is described with the aid of graphical Considered constructions to elucidate the behavior. Verification studies are conducted with single element models to show the behavior of the model in light of the new developments and to evaluate the effect of numerical parameters of the model. The model is used to analyze open hole compression specimens with soft, quasi-isotropic, and hard layups. Analysis results are shown for a conventional continuum damage mechanics model as well as the proposed model to highlight the differences between the two. Comparison with test data highlights the capabilities and remaining gaps in the quantitative prediction of damage evolution in open hole compression. Overall, the results show that the proposed model is capable of representing the kinematics of fiber kinking, and specifically the role of fiber kinking in open hole compression.

Andrew Cole Bergan↗

NASA NTRS2016

Modeling and Simulation Tools for Heavy Lift Airships

For conventional fixed wing and rotary wing aircraft a variety of modeling and simulation tools have been developed to provide designers the means to thoroughly investigate proposed designs and operational concepts. However, lighter-than-air (LTA) airships, hybrid air vehicles, and aerostats have some important aspects that are different from heavier-than-air (HTA) vehicles. In order to account for these differences, modifications are required to the standard design tools to fully characterize the LTA vehicle design and performance parameters.. To address these LTA design and operational factors, LTA development organizations have created unique proprietary modeling tools, often at their own expense. An expansion of this limited LTA tool set could be accomplished by leveraging existing modeling and simulation capabilities available in the National laboratories and public research centers. Development of an expanded set of publicly available LTA modeling and simulation tools for LTA developers would mitigate the reliance on proprietary LTA design tools in use today. A set of well researched, open source, high fidelity LTA design modeling and simulation tools would advance LTA vehicle development and also provide the analytical basis for accurate LTA operational cost assessments. This paper will present the modeling and analysis tool capabilities required for LTA vehicle design, analysis of operations, and full life-cycle support. A survey of the tools currently available will be assessed to identify the gaps between their capabilities and the LTA industry's needs. Options for development of new modeling and analysis capabilities to supplement contemporary tools will also be presented.

airship design and analysis↗

DOE OSTI2025

Metal additive manufacturing simulation across length, time, and computing scales

Metal additive manufacturing (AM) offers a unique opportunity for production of advanced materials and complex geometries. However, variability in microstructure and properties challenges conventional approaches to design, process optimization, qualification, and materials selection. Modeling and simulation can improve understanding of AM processing and materials, but also poses major challenges for existing computational methods. Simultaneously, modern scientific computing hardware has become increasingly complex, most notably with the adoption of hybrid architectures such as Graphical Processing Units (GPUs). If appropriately utilized, emerging computational capabilities provide an opportunity to reveal new insight into AM processing and the resulting material structure and properties. In this review we describe the computational AM landscape, identify critical gaps, and highlight opportunities to impact the development and application of AM. First, the requirements and challenges of representative AM problem statements will be defined. Here, these problems range from scientific studies to industrial applications and are designed to capture the breadth of challenges facing the AM community. Next, the current state of AM modeling and simulation is evaluated, broken down by enabling hardware and software, process simulation, microstructure simulation, and property simulation. Each section describes the diversity of simulation approaches and associated trade-offs in physical fidelity and computational expense. Each area is then assessed based on their suitability and readiness for current and developing computational architectures. Lastly, the greatest opportunities for future research and application are highlighted, including gaps in modeling capabilities, opportunities for near-term application, and key scientific challenges.

additive manufacturing↗

NASA NTRS2015

Applied Operations Research: Augmented Reality in an Industrial Environment

Augmented reality is the application of computer generated data or graphics onto a real world view. Its use provides the operator additional information or a heightened situational awareness. While advancements have been made in automation and diagnostics of high value critical equipment to improve readiness, reliability and maintenance, the need for assisting and support to Operations and Maintenance staff persists. AR can improve the human machine interface where computer capabilities maximize the human experience and analysis capabilities. NASA operates multiple facilities with complex ground based HVCE in support of national aerodynamics and space exploration, and the need exists to improve operational support and close a gap related to capability sustainment where key and experienced staff consistently rotate work assignments and reach their expiration of term of service. The initiation of an AR capability to augment and improve human abilities and training experience in the industrial environment requires planning and establishment of a goal and objectives for the systems and specific applications. This paper explored use of AR in support of Operation staff in real time operation of HVCE and its maintenance. The results identified include identification of specific goal and objectives, challenges related to availability and computer system infrastructure.

Cole, Stuart K.↗

DOE OSTI2024

SAM Code Improvements for Molten Salt Reactor Transient and Species Transport Modeling

The SAM code is under development and supported by DOE-NE’s Nuclear Energy Advanced Modeling and Simulation program as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. These advanced reactor concepts incorporate novel and improved approaches to achieve safety and economic feasibility. This report summarizes FY24 efforts in addressing the modeling gaps in SAM for molten salt reactor (MSR) applications. These efforts focused on the solver performance related to species transport, usability of the flowing decay heat and delayed neutron precursor capabilities, and modeling gaps related to fission product transport throughout the system.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2011

Telemedicine in Space Flight - Summary of a NASA Workshop

The Exploration Medical Capability Element of the Human Research Program at NASA Johnson Space Center hosted the Telemedicine Workshop in January 2011 to discuss the medical operational concept for a crewed mission to a near-Earth asteroid (NEA) and to identify areas for future work and collaboration. With the increased likelihood of a medical incident on a long duration exploration mission to a near-Earth asteroid, as well as the fact that there will likely be limited medical capabilities and resources available to diagnose and treat medical conditions, it is anticipated that a more structured use of telemedicine will become highly desirable. The workshop was convened to solicit expert opinion on current telemedicine practices and on medical care in remote environments. Workshop Objectives: The workshop brought together leaders in telemedicine and remote medicine from The University of Texas Medical Branch, Henry Ford Hospital, Ontario Telemedicine Network, U.S. Army Institute of Surgical Research, University of Miami, American Telemedicine Association, Doctors Without Borders, and the Pan American Health Organization. The primary objectives of the workshop were to document the medical operations concept for a crewed mission to a NEA, to determine gaps between current capabilities and the capabilities outlined in the operations concept, to identify research required to close these gaps, and to discuss potential collaborations with external-to-NASA organizations with similar challenges. Summary of Discussions and Conclusions: The discussions held during the workshop and the conclusions reached by the workshop participants were grouped into seven categories: Crew Medical Officers, Patient Area in Spacecraft, Training, Electronic Medical Records, Intelligent Care Systems, Consultation Protocols, Prophylactic Surgical Procedures, and Data Prioritization. The key points discussed under each category will be presented.

Barsten, K. N.↗

NASA NTRSDate not supplied

Using Artificial Intelligence and Machine Learning to Enhance Mission Design and Operations of the Habitable Worlds Observatory (HWO)

One key aspect in the development of HWO is the early deployment of artificial intelligence (AI) and machine learning (ML) to enhance mission science and operations. Our subtask group is part of the HWO AI/ML working group and focuses on AI and ML for mission operations. Our task group seeks to educate other HWO working groups about AI and ML capabilities for mission operations, investigate how to bridge technology gaps, and enable new capabilities particularly in the areas of observational scheduling, instrument health monitoring, and downlink operations. We focus on mission tasking / scheduling both for mission analysis in development and operations. AI and ML for mission scheduling includes: tools to support proposal calls and review, ensuring fairness in calls for proposals, community peer reviews and ease workloads, as well as in-flight and ground software development (e.g., using natural language processing (NLP) to support process automation from requirements). AI and ML for the mission’s development and operations include 1) anomaly detection and prediction (from onboard and ground based tools) to monitor the spacecraft’s health, 2) ground-based automated scheduling for mission operations including long-term and short-term planning and maintenance, and 3) flight system flexible execution (as flight proven for Spitzer and JWST) to enable robust execution despite execution variations, and 4) data analysis for prioritization (e.g., real-time data evaluation leading to autonomous actions and adjustments, high-priority identification, onboard data compression, etc.). Incorporation of ML and AI will enable HWO to address the major science questions related to exoplanet characterization, general astrophysics, and solar system exploration and also extend the boundaries of space mission technologies.

Mark Moussa↗

DOE OSTI2024

Advanced Measurements for Resilient Integration of Inverter-Based Resources: PROGRESS MATRIX Final Report

As nearly every aspect of the electric power grid undergoes rapid change, measurement technologies that support grid operation and planning must evolve as well. The rapid large-scale deployment of inverter-based resources (IBRs) vital to achieving the nation’s clean energy goals has in some cases led to negative impacts on the reliability and security of the bulk power system (BPS). Advanced power system measurements, including synchronized phasor and waveform measurements, are key to making IBR integration secure and reliable. To this end, the Department of Energy (DOE) initiated the PROGRESS MATRIX project to develop advanced measurement capabilities and analytics that will accelerate adoption of IBRs while improving the reliability and resilience of the BPS. This report discusses the outcomes of the project, which was a joint effort between the Pacific Northwest National Laboratory (PNNL), Oak Ridge National Laboratory (ORNL), the National Renewable Energy Laboratory (NREL), and Lawrence Berkeley National Laboratory (LBNL). In the project’s first year, PNNL, NREL, and ORNL partnered with the Bonneville Power Administration (BPA), the Western Area Power Administration (WAPA), and Kauai Island Utility Cooperative (KIUC) to understand their existing measurement capabilities and the gaps limiting deployment of IBR-focused measurement systems and analytics. The other primary activity in the first year was deployment of GridSweep instruments, which provide unprecedented precision in waveform measurement while probing distribution systems. The instruments were deployed at Dominion Energy and the University of California, Riverside. In the project’s second year, the input from partner utilities and collected measurements were used to advance measurement capabilities. Twelve analytical methods spanning disturbance analysis, power plant evaluation, feeder evaluation, and modeling were developed. Two software tools were developed, one to analyze GridSweep measurements and another to automatically evaluate the control performance of power plants connected to the BPS. Testbeds at ORNL and NREL were augmented to better enable studies of IBR integration. The project culminated in demonstrations of these analytical methods, software tools, and testbeds, both in the field and in the laboratory. This report discusses these various accomplishments and documents the significant progress in developing advanced measurement capabilities to support the secure, reliable, and accelerated adoption of IBRs in the BPS.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

UMERC Materials and Manufacturing Workshop

On October 4, 2023, DOE's Water Power Technology Office (WPTO) hosted a half-day workshop as part of the annual UMERC conference. The workshop brought together universities, industry, DOE offices, and national labs sharing their work, outcomes, capabilities, and critical gaps around materials and manufacturing (M&M) in the marine energy industry. There were breakout sessions for groups to make connections and explore paths forward to advance marine energy. The stated objectives included the following: 1) identify developers and universities highest priority M&M needs to reduce cost and improve performance to inform future DOE funding priorities; 2) raising awareness across the industry, around universities' M&M capabilities and key M&M projects, around developers' M&M needs, around national labs' M&M projects, capabilities, and opportunities to support research and deployment, and around TEAMER, IEC TC114, and other DOE offices that can support M&M research through resources and financial assistance.

manufacturing↗

DOE OSTI2024

Giant spin transport anisotropy in magnetic topological insulators

Here, we report on exceptionally long spin transport and giant spin lifetime anisotropy in the gapped surface states of three-dimensional (3D) magnetic topological insulators (MTIs). We examine the properties of these states using the three-dimensional Fu-Kane-Mele Hamiltonian model in the presence of a magnetic exchange field. The corresponding spin textures of surface states, which are well reproduced by an effective two-band model, hint at a considerable enhancement of the lifetime of out-of-plane spins compared to in-plane spins. This is confirmed by large-scale spin transport simulations for 3D MTIs with disorder. The energy dependence of the spin lifetime anisotropy arises directly from the nontrivial spin texture of the surface states, and is correlated with the onset of the quantum anomalous Hall phase. Our findings suggest different spin filtering capabilities of the gapped surface MTI states, which could be explored by nonlocal spin valve measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

RELAP5-3D Capabilities for High-Temperature Gas-Cooled Reactor Analysis

RELAP5-3D is the premier systems thermal-hydraulic code in the world. The code has been used significantly for high-temperature gas-cooled reactor (HTGR) analyses over the last 10 years, but there has not been a comprehensive summary of RELAP5-3D capabilities and methods for HTGR modeling. In this paper, we provide a guide for how novice users can build models for prismatic HTGRs. This guide includes best practices for developing heat structures and setting up radiation and conduction heat transfer. We also provide a summary of relevant validation studies. These studies are divided into three categories: separate effects tests, integral effects tests, and nuclear reactor studies. We present a comprehensive review of RELAP5-3D HTGR applications for reactor modeling over the last 10 years. These applications include work for the Modular High-Temperature Gas-Cooled Reactor benchmark, design activities for a prismatic HTGR as part of the U.S. Department of Energy’s Advanced Demonstration and Test Reactor Options Study, and studies performed to design gas-cooled microreactors. Following the comprehensive literature review, we present a gap analysis highlighting capabilities of RELAP5-3D that are available and missing for a complete analysis of HTGR thermal hydraulics. We also discuss the limitations of existing code capabilities and potential improvements that could improve analyses. Current research efforts have yet to fully validate RELAP5-3D for a prismatic HTGR analysis; however, some of this is attributable to confounding factors in the available experimental data as opposed to code capabilities. In conclusion, this paper presents the most comprehensive review to date on RELAP5-3D capabilities, limitations, and applications for HTGR analysis.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2022

Virtual diffraction simulations using the quasi-coarse-grained dynamics method to understand and interpret plasticity contributions during in situ shock experiments

The dynamic deformation response of metallic materials has contributions from dislocations, deformation twinning, and plastic deformation. The current state-of-art techniques can detail the complex mechanistic history of deformation modes under shock loading in real-time using in situ X-ray diffraction (XRD). However, the capability of these experiments to unravel plasticity contributions is challenging due to limitations in interpreting results and the lack of validation from atomistic simulations. Molecular dynamics (MD) simulations can successfully capture various deformation modes in metals and complement experiments using simulated diffractograms at various stages of evolution. However, the difference in length and time scales of MD simulations and experiments is a substantial obstacle in completing and interpreting in situ diffractograms. Therefore, the existing modeling methods require various approximations to model defect evolution and interaction at the mesoscales. However, while using approximations to correlate the peak broadening behavior to the density of dislocations or the shifts/splitting due to the presence of twins, the interpretations of the plasticity contributions from diffractograms are non-trivial, especially when multiple modes of deformation may be operating. This viewpoint discusses combining a mesoscale modeling method called quasi-coarse-grained dynamics and virtual XRD to characterize the plasticity contributions in BCC metals from slip, twinning, and phase transformation behavior. Furthermore, the combined approach shows promise in bridging the mesoscale gap between the capabilities of atomic-scale simulations and in situ experiments to characterize the dynamic deformation of materials.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Computational Modeling of Mars Retropropulsion Concepts in the Langley Unitary Plan Wind Tunnel

Future human Mars missions will require powered descent starting at supersonic conditions, something which has never been done before at Mars. Computational powered descent flowfield simulations have been completed at full-scale Mars conditions, but the available ground test data are not appropriate for calibrating computational uncertainties for aerodynamic interference on proposed Mars descent vehicles. A test will be conducted in the NASA Langley Unitary Plan Wind Tunnel to begin addressing powered descent aerodynamics risks for large-scale human Mars entry concepts and to identify gaps in computational predictive capabilities. This paper covers pre-test computational flowfield predictions of two different models derived from full-scale reference vehicles: a blunt low lift-to-drag vehicle and a more slender geometry. Calculations of the blunt model include variations in nozzle configuration: nozzle location, size, area ratio, and pointing direction. There exist some significant differences between solvers, but some general trends are observed from simulations of the blunt model. First, aerodynamic axial force from the heatshield decreases with increasing thrust due to expanding plume blockage. Second, nozzles that point along the model axis result in lower aerodynamic axial force compared to nozzles that have a radial thrust component. Finally, placing the nozzles further away from the model nose preserves more heatshield axial force with increasing thrust compared to nozzles that are closer to the nose. For the slender model, the axial force from the heatshield is similar to the non-blowing axial force regardless of thrust magnitude, due to the nozzle arrangement on the heatshield. Once the test is completed, direct comparisons between the computations and test data will be made to determine computational uncertainties in a wind tunnel environment, to identify gaps in predictive capabilities, and to inform planning for future ground and flight test programs for Mars powered descent vehicles.

Supersonic Retropropulsion↗

NASA NTRSDate not supplied

Computational Modeling of Mars Retropropulsion Concepts in the Langley Unitary Plan Wind Tunnel

Future human Mars missions will require powered descent starting at supersonic conditions, something which has never been done before at Mars. Computational powered descent flowfield simulations have been completed at full-scale Mars conditions, but the available ground test data are not appropriate for calibrating computational uncertainties for aerodynamic interference on proposed Mars descent vehicles. A test will be conducted in the NASA Langley Unitary Plan Wind Tunnel to begin addressing powered descent aerodynamics risks for large-scale human Mars entry concepts and to identify gaps in computational predictive capabilities. This paper covers pre-test computational flowfield predictions of two different models derived from full-scale reference vehicles: a blunt low lift-to-drag vehicle and a more slender geometry. Calculations of the blunt model include variations in nozzle configuration: nozzle location, size, area ratio, and pointing direction. There exist some significant differences between solvers, but some general trends are observed from simulations of the blunt model. First, aerodynamic axial force from the heatshield decreases with increasing thrust due to expanding plume blockage. Second, nozzles that point along the model axis result in lower aerodynamic axial force compared to nozzles that have a radial thrust component. Finally, placing the nozzles further away from the model nose preserves more heatshield axial force with increasing thrust com- pared to nozzles that are closer to the nose. For the slender model, the axial force from the heatshield is similar to the non-blowing axial force regardless of thrust magnitude, due to the nozzle arrangement on the heatshield. Once the test is completed, direct comparisons between the computations and test data will be made to determine computational uncertainties in a wind tunnel environment, to identify gaps in predictive capabilities, and to inform planning for future ground and flight test programs for Mars powered descent vehicles.

Mars↗

DOE OSTI2022

Analysis of Vector Particle-In-Cell (VPIC) memory usage optimizations on cutting-edge computer architectures

Vector Particle-In-Cell (VPIC) is one of the fastest plasma simulation codes in the world, with particle numbers ranging from one trillion on the first petascale system, Roadrunner, to ten trillion particles on the more recent Blue Waters supercomputer. As supercomputers continue to grow rapidly in size, so too does the gap between computing capability and memory capability. Current memory systems limit VPIC simulations greatly as the maximum number of particles that can be simulated directly depends on the available memory. In this study, we present a suite of VPIC memory optimizations (i.e., particle weight, half-precision, and fixed-point optimizations) that enable a significant increase in the number of particles in VPIC simulations. Here, we assess the optimizations’ impact on memory and runtime performance for a suite of cutting-edge computer architectures such has the NVIDIA V100 GPU, the IBM Power9, and the Fujitsu A64FX architectures. Our optimizations enable a 31.25% reduction in memory usage and up to 40% increase in the number of particles. This paper extends our work on developing particle storage format optimizations Tan et al.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Development of a platform for experimental and computational studies of magnetic and radiative effects on astrophysically relevant jets at OMEGA

Accurate modeling of astrophysical jets is critical for understanding accretion systems and their impact on the interstellar medium. While astronomical observations can validate models, they have limitations. Controlled laboratory experiments offer a complementary approach for qualitative and quantitative demonstration. Laser experiments offer a complementary approach. This article introduces a new platform on the OMEGA laser facility for high-velocity (1500 kms−1), high-aspect-ratio (∼36) jet creation with strong cylindrical symmetry. This platform's capabilities bridge observational gaps, enabling controlled initial conditions and direct measurements of plasma characteristics, crucial for refining astrophysical jet dynamics and improving the models accuracy.

Rigon, G. (ORCID:0000000256664725)↗

DOE OSTI2023

Combining synchrotron X-ray diffraction, mechanistic modeling and machine learning for in situ subsurface temperature quantification during laser melting

Laser melting, such as that encountered during additive manufacturing, produces extreme gradients of temperature in both space and time, which in turn influence microstructural development in the material. Qualification and model validation of the process itself and the resulting material necessitate the ability to characterize these temperature fields. However, well established means to directly probe the material temperature below the surface of an alloy while it is being processed are limited. To address this gap in characterization capabilities, a novel means is presented to extract subsurface temperature-distribution metrics, with uncertainty, from in situ synchrotron X-ray diffraction measurements to provide quantitative temperature evolution data during laser melting. Temperature-distribution metrics are determined using Gaussian process regression supervised machine-learning surrogate models trained with a combination of mechanistic modeling (heat transfer and fluid flow) and X-ray diffraction simulation. The trained surrogate model uncertainties are found to range from 5 to 15% depending on the metric and current temperature. The surrogate models are then applied to experimental data to extract temperature metrics from an Inconel 625 nickel superalloy wall specimen during laser melting. The maximum temperatures of the solid phase in the diffraction volume through melting and cooling are found to reach the solidus temperature as expected, with the mean and minimum temperatures found to be several hundred degrees less. The extracted temperature metrics near melting are determined to be more accurate because of the lower relative levels of mechanical elastic strains. However, uncertainties for temperature metrics during cooling are increased due to the effects of thermomechanical stress.

36 MATERIALS SCIENCE↗