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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 OSTI2023

ARES v1.x - Performance Portable Tool to Simulate Supernovae based on Parthenon Framework

Historically, codes for simulating supernovae (such as Arepo, FLASH or LEAFS) have been at the forefront of scientific high-performance computing to the immense computational resources required for full 3D simulations. However, given the shift towards heterogenous HPC architectures, many current-generation codes are at the risk of losing their competitiveness as they are only designed to run on homogeneous CPU-only systems. There exist several efforts to enable these codes for GPU’s, however, these efforts only consider specific architectures or vendors (e.g., implement only CUDA or HIP), limiting themselves to a small range of exascale computing systems. Frameworks such as Kokkos aim to provide a framework which is agnostic of the targeted architecture, enabling the development of performant and portable code. In the Ares code, we develop a performance portable tool to simulate supernovae based on the Parthenon Framework, which in turn uses Kokkos in the background. Here, the Parthenon Framework provides an interface to the underlying mesh-refinement routines, which form the backbone of our code. In addition, we incorporate the already existing Singularity-EOS toolkit to provide us with various equations of state, primarily the Helmholtz equation of state. We also include the JINA Reaclib as a basis for our nuclear network solver. Finally, we implement a gravity solver to complete the required physics. This setup will provide us with a minimal code base to simulate supernova in a similar style to the tried-and-tested Arepo code, but in a futureproof performance portable framework.

Lim, Hyun↗
DOE OSTI2024

Assurance of Reasoning Enabled Systems (ARES)

ARES was in part motivated by the determination of President’s Council of Advisors on Science and Technology (PCAST) on May 13th, 2023 that published a set of inquiries: In an era in which convincing images, audio, and text can be generated with ease on a massive scale, how can we ensure reliable access to verifiable, trustworthy information? How can we be certain that a particular piece of media is genuinely from the claimed source? What technologies, policies, and infrastructure can be developed to detect and counter AI-generated disinformation? In an effort to automatically analyze and patch/optimize code the work in this report describes various neural Machine Learning (ML) analysis engine implementations to assist in situations where source code is deficient or completely lacking to decompile (lift) binary code to ’C’. The goal is to gradually reduce human intervention. To this end, two Large Language Model (LLM) variants (Code LLama 2, LLama 3.1 and Starcoder1, Starcoder 2) where finetuned with ’before/after’ code pairs on the OpenBLAS library. LLama trained on the lowering process, Starcoder trained on the lifting process with National Security Agency’s (NSA) open-source Ghidra decompiler assist. The inferencing test results indicate correctness for only very short sequences for Starcoder 2. Moving forward, the experiments conclude with a set of recommendations of required resources and technologies

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

$\mathrm{EBR-II MOX}$ Fuel Characterization Enabling ARES Phase I Testing

Pretransient characterization was performed for the Experimental Breeder Reactor II (EBR-II) mixed-oxide (MOX) fuel pellets from the SPA-2/-2B Operational Reliability Testing collaboration between Japan and the United States. Continued collaboration under the Advanced Reactor Experiments for Sodium Fast Reactor Fuels project will investigate the transient performance of these rods in the Transient Reactor Test facility at Idaho National Laboratory in the MOXTOP-THOR experiment. The results will fill a gap in existing transient performance data for MOX as these rods have a peak burnup of 14.3 at. % (~134.4 GWd/t) in the EBR-II. Fuel pellet properties were gathered from available resources and their irradiation and decay history evaluated. Further reactor physics calculations were performed to support the experiment design, reactor operations, and safety analyses necessary to enable the programmatic success of this effort. Of the three irradiated fuel pins, two will undergo transient testing, and all three will undergo post-irradiation examination. The methodology development and analysis activities utilized we report enable current experiment design work and provide the pathway through which measured data of this type can be further evaluated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Nine Canyon Long-Duration Energy Storage: A Feasibility Study

The Nine Canyon Long Duration Energy Storage (LDES) Feasibility Study explores the technical and economic viability of deploying advanced energy storage technologies at Energy Northwest's (EN) Nine Canyon (9C) Wind Project site in Benton County, Washington. Supported by the Washington State Department of Commerce and the U.S. Department of Energy’s Office of Electricity under its LDES Voucher Program, the study represents a collaborative effort between EN, Pacific Northwest National Laboratory (PNNL), and ARES North America. At the core of this effort is the development of a generalized techno-economic modeling framework and evaluation tool designed to assess the value proposition of LDES projects across a variety of contexts. The modeling tool is technology-agnostic and accommodates user-defined parameters such as rated power, energy duration, round-trip efficiency, capital and operational costs, and dispatch constraints. It also integrates economic inputs, including market prices, energy revenue structures, and financing parameters to evaluate performance through key metrics. The tool provides utilities with a transparent, adaptable platform to support decision-making, investment prioritization, and portfolio planning for various storage technologies. To guide scenario design and interpretation, the study first surveyed the LDES technology landscape, including lithium-ion batteries, flow batteries, non-hydro gravity storage, and thermo-mechanical systems, comparing cost trajectories, technical performance, safety and hazards, materials sourcing and recyclability, and spatial/siting considerations. This literature-grounded review highlights technology trade-offs and reinforces the need to align technology choice with site characteristics, use cases, and project objectives. A companion chapter examines ownership structures (EN ownership, third-party ownership, shared models) and offtake options (energy marketing, capacity/energy PPAs, time-of-use PPAs, block-delivery PPAs, and tolling), where PPAs (power purchase agreements) represent contractual arrangements for buying and selling electricity. The chapter also highlights implications for risk allocation, capital access, operational control, and revenue certainty. The study also evaluates supervisory control and data acquisition (SCADA) and transmission interconnection pathways, options include upgrading the existing SCADA or deploying a dedicated LDES controller, with attention to protection schemes, data telemetry, cybersecurity, and regulatory coordination with BPA. In addition, an ARES-specific geotechnical and hydrology assessment presented in the appendix screens multiple corridors for slope stability, bearing capacity, cut-and-fill magnitude, and stormwater behavior.

25 ENERGY STORAGE↗
DOE OSTI2024

Design of a Three-Layer Impactor for Material Strength Measurements at Multi-Megabar Pressures

Off-Hugoniot loading methods for dynamic compression have been a topic of interest for many years as a means of accessing high pressures without melting a material. Simulations and an initial test experiment of a three-layer gas-gun impactor suitable for use in measuring dynamic material strength at multi-megabar pressures are described. As shown through ARES hydrocode simulations, an impactor consisting of a low-, medium-, and high-impedance material, such as TPX, Al, and Ta or Pt, can produce a quasi-isentropic loading path up to 4.6 Mbar pressure with a low homologous temperature (T/T melt = 0.1–0.25). These impactors can also be tailored to create a pressure drive suitable for a Lagrangian sound speed experiment. Simulated in-situ velocities were analyzed to determine the change in calculated strength due to non-uniformity in the impactor, which provides a measure of error sensitivity. An initial test of a three-layer projectile onto a flat target at 4.4 km/s impact velocity is reported. Finally, while the impactor incurred some delamination during firing, the measured sample/window interface velocity generally agrees with the simulated peak velocity and subsequent release, indicating the feasibility of this approach for measuring material strength.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Preheat effects in laser-driven Rayleigh–Taylor instability experiments at intensities greater than $10^{15}$ $\textrm{W}$ $\textrm{cm}^{-2}$ at OMEGA EP and the NIF

The propagation of high-energy X-rays or hot electrons have the potential to alter the initial conditions in experimental target designs, especially at material interfaces, for laser-driven inertial confinement fusion (ICF) and high-energy density (HED) experimental platforms. Hot-electron preheat can drastically modify the initial conditions of experimental targets used to study the deceleration-stage Rayleigh–Taylor instability (RTI) both with and without applied magnetic fields. Therefore, it is necessary to understand and quantify the impact of hot-electron preheat. The hydrodynamic (HD) capabilities in the Ares code are used to study the effects varying levels of preheat can have on RTI evolution. The experimental and computational studies presented in this work demonstrate that at high laser intensities of around or greater than 10 15 W cm −2 , there is hot-electron generation from laser plasma instabilities which induces substantial preheat and impacts the morphology of RTI evolution and even inhibits the intended RTI growth such that it is not observable experimentally. The necessity of better quantifying hot-electron induced preheat and mitigating its impact on such high-intensity direct-drive laser experiments in the future is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Shock tube simulations for the three-layer Richtmyer–Meshkov instability with single-mode and multimode perturbations

While the canonical two-component, single-mode Richtmyer–Meshkov instability (RMI) has been extensively studied, relatively less work has focused on the effects of an additional intermediate-density middle layer. This work investigates such three-material RMI configurations at two Atwood number scenarios using the ARES hydrodynamics code. After validation against previous experimental and computational studies, setups corresponding to recent three-layer shock tube experiments are simulated. Cases with both single-mode and multimode perturbations are studied to quantify mixing across the interface between the materials with highest and intermediate density. In particular, this work is able to comprehensibly examine differences between two- and three-dimensional setups for the single-mode and multimode problems. Observations from previous two-layer investigations still apply in the three-layer setup, but over the time horizons considered, there appears to be insufficient nonlinear mode coupling to create significant differences between two- and three-dimensional simulations following the first passage of a shock. Finally, additional reshock simulations have additional nonlinear growth that does result in expected differences between two- and three-dimensional cases in this three-layer setup, but significant differences do not manifest during the time horizon studied.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Numerical Improvements in Magnetohydrodynamic, Pulsed Power Simulations of Near-Target Plasmas

Magnetohydrodynamic (MHD) simulations of pulsed power experiments frequently result in unphysical runaway heating when extended to low values of mass density. Traditionally, this has been addressed by the use of conductivity floors below which the plasma is given an arbitrarily low conductivity value. Here, a low-density treatment is presented that allows for low-density material to carry current while maintaining a stable temperature. This treatment is implemented in the Ares multiphysics code. Numerical modifications to the conventional vacuum treatment include an energy-conserving density floor, a modified averaging procedure to determine the thermal conductivity at the edge of adjacent zones, and a modified averaging procedure for determining the thermal conductivity in mixed zones that contain material from differing regions. Additionally, anomalous resistivity and Bohm diffusion models are implemented as simplified models for microphysics-induced enhancement of collisional transport. Importantly, the advantage of these various improvements are illustrated in a simple 1-D pulsed power target where the combined changes result in stable temperatures within the lower density regions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Contribution to: UNM-UNR-VT Project Research Performance Progress Report 'Seeding and Evolution of Magnetohydrodynamic Instabilities of a Metal Surface Driven by Intense Current' Year 4 (no-cost extension for FY 2022): Oct 2021 - Sept 2022

The multiphysics code Ares has been used to perform resistive MHD fluid simulations of the METI-II experiments (described in Section 1.1.2). The simulations include both 1D Lagrangian simulations and axisymmetric 2D ALE simulations. The results of these simulations are summarized here and a full manuscript is nearing completion for submission.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Level-2 Milestone 9009: Flux and Rabbit Capabilities on El Capitan

This document is the milestone delivery report for the ASC 2025 L2 milestone (See Table 1) for advanced I/O capabilities for El Capitan via Flux Workload Manager support and the new I/O hardware designed for El Capitan, the Rabbit Storage System. In this document we describe the design of the Rabbit Storage System and how it is managed by Flux. We evaluate the performance and usability of Rabbit using ARES, IOR, and an AI inference workload. Overall, we find that Rabbit shows good scalability, especially in node-local storage configurations, and is more scalable than the global Lustre parallel file system.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

The Surface-Topography Challenge: A Multi-Laboratory Benchmark Study to Advance the Characterization of Topography

Surface performance is critically influenced by topography in virtually all real-world applications. The current standard practice is to describe topography using one of a few industry-standard parameters. The most commonly reported number is Ra, the average absolute deviation of the height from the mean line (at some, not necessarily known or specified, lateral length scale). However, other parameters, particularly those that are scale-dependent, influence surface and interfacial properties; for example the local surface slope is critical for visual appearance, friction, and wear. The present Surface-Topography Challenge was launched to raise awareness for the need of a multi-scale description, but also to assess the reliability of different metrology techniques. In the resulting international collaborative effort, 153 scientists and engineers from 64 research groups and companies across 20 countries characterized statistically equivalent samples from two different surfaces: a “rough” and a “smooth” surface. The results of the 2088 measurements constitute the most comprehensive surface description ever compiled. We find wide disagreement across measurements and techniques when the lateral scale of the measurement is ignored. Consensus is established through scale-dependent parameters while removing data that violates an established resolution criterion and deviates from the majority measurements at each length scale. Our findings suggest best practices for characterizing and specifying topography. The public release of the accumulated data and presented analyses enables global reuse for further scientific investigation and benchmarking.

42 ENGINEERING↗
DOE OSTI2023

The Effects of Silicon and Niobium Concentration on the Solidification Behavior and Microstructure of Cast Monel Alloys

Cast Monel alloys are used in applications requiring a combination of good mechanical properties and excellent resistance to corrosion. Despite prevalent industrial use, relatively few studies have been conducted to investigate the relationships between composition, solidification behavior, and microstructure. Given that these alloys are used in the cast and welded conditions, these factors have a significant influence over the material properties. Here, in this work, microstructural characterization, electron probe microanalysis, X-ray diffraction, and differential scanning calorimetry were used to study how changes in Si and Nb concentrations affected the solidification path and microstructure of Monel alloys. It was found that increasing Nb concentration stabilized higher amounts of MC carbides and suppressed graphite formation during solidification. It was also found that the high nominal concentration and segregation of Si to the liquid led to the formation of Ni 31 Si 12 and other silicides via terminal eutectic reactions at the end of solidification. A pseudo-binary solidification diagram was constructed using experimental data and was applied to predict the mass fraction of solidified eutectic as a function of composition. The modeled microstructures were found to be in good agreement with experimentally measured phase fractions.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The Influence of Nominal Composition on the Microstructure, Tensile Properties, and Weldability of Cast Monel Alloys

Cast Monel alloys are used in many industrial applications that require a combination of good mechanical properties and excellent resistance to corrosion. Despite relative widespread use, there has been limited prior research investigating the fundamental composition–structure–property relationships. Here in this work, microstructural characterization, thermal analysis, electron probe microanalysis, tensile testing, and Varestraint testing were used to assess the effects of variations in nominal composition on the solidification path, microstructure, mechanical properties, and solidification cracking susceptibility of cast Monel alloys. It was found that Si segregation caused the formation of silicides at the end of solidification in grades containing at least 3 wt pct Si. While increases to Si content led to significant improvements in strengthening due to the precipitation of β 1 -Ni 3 Si, the silicide eutectics acted as crack nucleation sites during tensile loading which severely reduced ductility. The solidification cracking susceptibility of low-Si Monel alloys was found to be relatively low. However, increases to Si concentration and the onset of associated eutectic reactions increased the solidification temperature range and drastically reduced cracking resistance. Increases in the Cu and Mn concentrations were found to reduce the solubility limit of Si in austenite which promoted additional eutectic formation and exacerbated the reductions in ductility and/or weldability.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Multiple Sources of Riparian Wetland Suspended Solids during Episodic Rain Events: Influence on Uranium Transport

Suspended solids can be the primary vector for transporting contaminants in streams. The objective of this study was to determine whether changes in the properties of suspended solids during rain events impacted contaminant transport. Stream water was collected during five episodic events downstream from a U-contaminated wetland located in South Carolina, USA. The suspended particles were initially composed of Fe-flocs (particles formed in situ prior to the rain event) that had significantly greater Fe, Mn, organic-C, and U content than particles collected later during a sampling rain event. XANES and EXAFS revealed that U in the Fe-flocs was U(VI) and that it was not incorporated in a mineral structure but existed as inner- or outer-sphere adsorbed uranyl species associated with organic matter and Fe-oxides. The uranyl had an extraordinarily high affinity for the suspended solids, with solid to liquid U ratios of >72,000 (μg/kg)/(μg/L). After the initial flush of Fe-flocs, a greater fraction of the suspended solids had lower organic-C, Fe, Mn, and amorphous phases and were composed of more quartz, kaolinite, and gibbsite, resulting in lower U concentrations than those in the solids collected earlier in the rain event. This study highlights the importance of understanding suspended solids as transport vectors and their potential dynamic nature during rain events.

computer simulations↗
DOE OSTI2025

Investigation of Solid Particle Reactors for Nonoxidative Dehydrogenation of Ethane: Toward Solar Thermal Ethylene Production

Concentrating solar power plants can generate renewable heat at temperatures well above those of most industrial processes. Ceramic particles irradiated with concentrated sunlight can store high-quality sensible heat and transfer this to power generation systems. These concepts and materials hold great potential to also enable thermal processes in the chemical industry, but effective strategies for transferring heat from thermal energy storage media into chemical reactors are still under development. This present work evaluated the thermal and chemical compatibility of various solid particle media (including quartz, bauxite, and alumina particles) integrated directly into tube reactors and the subsequent effects on reactor performance for the nonoxidative dehydrogenation of ethane reaction. Empty tube reactors without loaded particles (representing conventional ethane cracking coils) showed significant heat transfer limitations as the tube diameter was scaled. The incorporation of media into the reactor significantly aided heat transfer to the gaseous ethane reactant and increased its conversion by as much as 10% at similar space velocities. Despite direct contact with hydrocarbon gases, alumina and quartz media showed negligible coke formation. Even during reaction in 100% ethane feed gas at 825 °C, the average selectivity of the coke product was only 0.57% when using the quartz media. These materials further demonstrated excellent thermal stability during subsequent reoxidation in air at 800 °C, which simulated the reheating of particles in a circulating particle solar receiver. Conversely, high rates of coke formation, with a product selectivity of 27.5%, were observed on sintered bauxite particles during the reaction, likely promoted by transition metal constituents. These particles fractured upon reoxidation due to exotherms generated from coke combustion. In conclusion, while the use of cofed steam could mitigate attrition of redox-active particles, the ability of inert metal oxide particles to efficiently transfer heat to concentrated ethane reactant gas while suppressing side reactions or degradation suggests that these media could effectively couple solar thermal plants to reactors for next-generation production of ethylene and other critical chemicals.

Hydrocarbons↗
DOE OSTI2023

Dynamics of episodic supershear in the 2023 M7.8 Kahramanmaraş/Pazarcik earthquake, revealed by near-field records and computational modeling

Abstract The 2023 M7.8 Kahramanmaraş/Pazarcik earthquake was larger and more destructive than what had been expected. Here we analyzed nearfield seismic records and developed a dynamic rupture model that reconciles different currently conflicting inversion results and reveals spatially non-uniform propagation speeds in this earthquake, with predominantly supershear speeds observed along the Narli fault and at the southwest (SW) end of the East Anatolian Fault (EAF). The model highlights the critical role of geometric complexity and heterogeneous frictional conditions in facilitating continued propagation and influencing rupture speed. We also constrained the conditions that allowed for the rupture to jump from the Narli fault to EAF and to generate the delayed backpropagating rupture towards the SW. Our findings have important implications for understanding earthquake hazards and guiding future response efforts and demonstrate the value of physics based dynamic modeling fused with near-field data in enhancing our understanding of earthquake mechanisms and improving risk assessment.

Environmental Sciences & Ecology↗