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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Quantitative radiography for determining density fluctuations in HED experiments

We have developed a method to extract density fluctuation measurements from x-ray radiographs of high-energy density (HED) instability growth and turbulence experiments. We use this information to calculate density fluctuation statistics for constraining the performance of turbulent mix models in HED systems. The density calculation combines image filtering, removal of systemic effects such as backlighter variation, calculation of transmission across multiple materials, and use of tracer materials to generate an approximate single-material density field. From the density map, we calculate both average density and a variance-like moment b (density-specific-volume covariance), which we compare to our models. We infer both quantities from a single image, which is significantly more information than the historic single scalar mix width measurements. We also develop a method of analyzing simulation outputs that incorporate both the density fluctuation metric from a turbulence model and the bulk material maps from the hydrodynamic code. This analysis helps address the question of how to initialize the simulations for best comparison to data from systems with large separations of scale in the mixing perturbation initial condition. We find that our data analysis method yields 1D average density and b curves with similar morphology and amplitudes as those from preliminary simulation comparisons.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Modeling the contributions to acoustic nonlinearity from complex dislocation networks using 3D dislocation dynamics

Nonlinear ultrasonic parameters are highly sensitive to microstructural features that affect macroscale material behavior, providing a nondestructive means to characterize their evolution. Although dislocations are known to be a strong source of acoustic nonlinearity, establishing quantitative links between the acoustic nonlinearity parameter (β), measured via Second Harmonic Generation, and dislocation morphology—such as dislocation length and density—remains an open challenge. This work advances the numerical modeling of dislocation–β relationships using 3D dislocation dynamics (DD) simulations in two approaches: a “static” method computing strain and stress fields from dislocation configurations in the absence of external loading, and a “quasi-static” method to estimate β from the curvature of dislocation lines under applied load. First, the static method is combined with finite element analysis to investigate a recent assertion that heterogeneous initial strain fields can induce higher harmonic generation in a linear elastic medium; the present results do not corroborate this outcome. Then, the quasi-static method is applied to multiple-dislocation scenarios through parametric studies, revealing behaviors not predicted by analytical models, such as the competing interactions of edge and screw dislocations and the significant influence of applied stress on β. Finally, the simulations are used to model SHG experimental results and validate the hypothesis that β can decrease during plastic deformation, despite increasing dislocation density. As the DD code used here is open-source, it provides a practical platform for future investigation into microstructure–β relationships important to the interpretation of SHG results.

Materials science↗
DOE OSTI2025

A Flang Plugin for Fortran Feature Characterization

As new compute systems are developed, there is still a need to compile and execute codes authored in Fortran on these leading edge systems. In order to achieve this, development of compilers that support the latest hardware is continuously under development. Though the specification of Fortran is extensive, it is helpful to compiler authors to be able to prioritize the development of key features in order to get certain codes deemed important, e.g., applications of interest to leadership computing facilities, executable on leading edge compute systems. Identifying key features though is largely done through querying software experts or users of the Fortran applications of interest, who then manually report what features are and are not present. This exercise can both time consuming and error prone. To automate this process, we present a compiler plugin to Flang, the Fortran frontend for LLVM. This plugin is a tool that operates on the parse tree representation generated by Flang and detects key features based on walking parse tree nodes that correspond to features of interest. We show the result of our tool on four applications, three of which were manually profiled by software experts. We show the discrepancies between our tool and the manual characterization of the three applications, as well as generate a characterization for an application not yet profiled. We intend to open-source our tool in order to invite the community to benefit from the tool and make contributions for other features.

Cabrera, Anthony [ORNL]↗
DOE OSTI2025

Multiphase Species Transport Modeling for Molten Salt Reactors in the System Analysis Module: Generation, Decay, Deposition, and Extraction of Insoluble Fission Products

With the increase of interests in the design and deployment of advanced reactor systems, a desire for simulation tools supporting system analysis of reactor operation and safety is rising. Molten salt reactors (MSRs), one of the advanced reactor systems, utilize liquid fused salt fuel as both coolant and fuel. During operation, MSR generates insoluble fission products, including noble metals and gases. The buildup of these species in fuel salt presents safety concerns as they may deposit on surfaces of critical components and produce excessive decay heat, causing the failure of system components. Timely removal of these noble metals and gases would ensure the safe operation of the reactor system. The dynamic nature of salt fuel system, involving the generation, decay, deposition, and extraction of noble metals and gases, calls for robust species transport models to facilitate system analysis and monitoring, and design of efficient species removal components. This paper concentrates on the development of a computational framework for species transport, consisting of multiphase transport model formulation, mass transfer between phases, numerical implementation in MOOSE environment, verification through Method of Manufacture Solutions (MMS) and validation against experimental data from the Molten Salt Reactor Experiment (MSRE). Integrating this framework into the System Analysis Module (SAM) code further enhances SAM’s capabilities for advanced reactor analysis in the future.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Novel candidate taxa contribute to key metabolic processes in Fennoscandian Shield deep groundwaters

The continental deep biosphere contains a vast reservoir of microorganisms, although a large proportion of its diversity remains both uncultured and undescribed. In this study, the metabolic potential (metagenomes) and activity (metatranscriptomes) of the microbial communities in Fennoscandian Shield deep subsurface groundwaters were characterized with a focus on novel taxa. DNA sequencing generated 1270 de-replicated metagenome-assembled genomes and single-amplified genomes, containing 7 novel classes, 34 orders, and 72 families. The majority of novel taxa were affiliated with Patescibacteria, whereas among novel archaea taxa, Thermoproteota and Nanoarchaeota representatives dominated. Metatranscriptomes revealed that 30 of the 112 novel taxa at the class, order, and family levels were active in at least one investigated groundwater sample, implying that novel taxa represent a partially active but hitherto uncharacterized deep biosphere component. The novel taxa genomes coded for carbon fixation predominantly via the Wood–Ljungdahl pathway, nitrogen fixation, sulfur plus hydrogen oxidation, and fermentative pathways, including acetogenesis. These metabolic processes contributed significantly to the total community’s capacity, with up to 9.9% of fermentation, 6.4% of the Wood–Ljungdahl pathway, 6.8% of sulfur plus 8.6% of hydrogen oxidation, and energy conservation via nitrate (4.4%) and sulfate (6.0%) reduction. Key novel taxa included the UBA9089 phylum, with representatives having a prominent role in carbon fixation, nitrate and sulfate reduction, and organic and inorganic electron donor oxidation. These data provided insights into deep biosphere microbial diversity and their contribution to nutrient and energy cycling in this ecosystem.

Candidatus↗
DOE OSTI2026

Analysis of genomic signatures associated with Variovorax endosphere colonization

This repository contains the analysis code and supporting datasets associated with the study “Genomic signatures in Variovorax enabling colonization of the Populus endosphere.” Beals DG, Carper DL, Hochanadel LH, Jawdy SS, Klingeman DM, Piatkowski BT, Weston DJ, Doktycz MJ, Pelletier DA. 2026. Genomic signatures in Variovorax enabling colonization of the Populus endosphere. mSystems 11:e01605-25. https://doi.org/10.1128/msystems.01605-25 The scripts are organized sequentially (01–07) and document the workflows used for: Sequence-read alignment and feature counting Orthogroup and KEGG Ortholog annotation Count normalization Statistical analysis and aggregation Generation of manuscript figures and tables Repository contents The uncompressed files are the finalized, formatted datasets used to generate the figures and tables reported in the study, including the supplemental CSV files referenced in the manuscript. The accompanying ZIP archive contains the complete codebase and example data_input/ and data_output/ directories illustrating the organization and execution of the analytical workflow. Individual scripts identify the corresponding manuscript analyses and figure panels. Raw sequencing data Raw sequencing reads are available through the NCBI Sequence Read Archive under BioProject accession PRJNA1322484.

Beals, Delaney [ORNL] (ORCID:0000000306274574)↗
DOE OSTI2026

Enabling event-by-event precision in γ-ray cascades for neutron-induced reactions

Neutron-induced γ-ray spectra provide key inputs for modern active interrogation applications. A precise modeling of the nuclear reaction and subsequent emission of γ rays is challenging and often impossible due to limitations on evaluated data file formats and nuclear transport simulation codes. We present a framework that addresses these challenges by combining experimental data and reaction-model calculation outputs into an extended candidate version of the Generalized Nuclear Data Structure (GNDS) file, the successor format for the legacy Evaluated Nuclear Data File (ENDF-6). This proposed GNDS hierarchical format contains all the necessary ingredients for inline γ-ray cascade reproduction with event-by-event precision, including continuum–continuum and continuum–discrete transitions following neutron-capture and inelastic neutron scattering reactions. Cascade-event generation based on our approach demonstrates improved energy conservation on an event-by-event basis and permits the use of γ-γ coincidences in applications. This work offers, for the first time, a method to generate neutron-capture and inelastic neutron-scattering γ-ray cascades where energy conservation, correlations, and experimental primaries are fully accounted for.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Efficient atmospheric, solar, and supernova neutrino propagation through the Earth

Algorithms for computing neutrino oscillation probabilities in sharply varying matter potentials such as the Earth are becoming increasingly important. As the next generation of experiments, DUNE and HyperK as well as the IceCube upgrade and KM3NeT, come online, the computational cost for atmospheric and solar neutrinos will continue to increase. To address these issues, we expand upon our previous algorithm for long-baseline calculations to efficiently handle probabilities through the Earth for atmospheric, nighttime solar, and supernova neutrinos. The algorithm is fast, flexible, and accurate. It can handle arbitrary Earth models with two different schemes for varying density profiles. We also provide a c ++ implementation of the code called NUF ast- E arth along with a detailed user manual. The code intelligently keeps track of repeated calculations and only recalculates what is needed on each successive call which can also help provide significant speed-ups.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Modularization of EDGE Workflows Using Nextflow: Improving the Efficiency and Maintainability of Bioinformatics Software

EDGE is a bioinformatics platform developed in 2016 by researchers at Los Alamos National Laboratory (LANL) to facilitate the analysis of next-generation sequencing data by researchers with varying levels of experience in bioinformatics (Li et al., 2017). Users with single-end, paired-end or long-read sequencing data can provide their reads as input to EDGE and select the combination of workflows to run that are most useful for their research (e.g., quality control of reads, genome assembly, or the taxonomic classification of input reads). Table 1 summarizes the modules available in EDGE. EDGE is available as a web platform at https://edgebioinformatics.org, as installable source code maintained on GitHub under a GPLv3 license, and as a publicly hosted Docker image.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

National Climate Database (NCDB)

The National Climate Database (NCDB) is a high resolution, bias-corrected climate dataset consisting of the three most widely used variables of solar radiation- global horizontal (GHI), direct normal (DNI), and diffuse horizontal irradiance (DHI)- as well as other meteorological data. The goal of the NCDB is to provide unbiased high temporal and spatial resolution climate data needed for renewable energy modeling. The NCDB is modeled using a statistical downscaling approach with Regional Climate Model (RCM)-based climate projections obtained from the North American Coordinated Regional Climate Downscaling Experiment (NA-CORDEX; linked below). Daily climate projections simulated by the Canadian Regional Climate Model 4 (CanRCM4) forced by the second-generation Canadian Earth System Model (CanESM2) for two Representative Concentration Pathways (RCP4.5 or moderate emissions scenario and RCP8.5 or highest baseline emission scenario) are selected as inputs to the statistical downscaling models. The National Solar Radiation Database (NSRDB) is used to build and calibrate statistical models.

Array↗
DOE OSTI2025

Geometric Interpretation of the Cluster Location Problem Part II: Application to the Pahala, Hawaii, Earthquake Sequence

In the companion “Theory” article, we presented a new framing of the seismic location problem in terms of differential geometry (Harris et al., 2025). From that viewpoint, we developed a “project and correct” approach for estimating the relative locations of earthquakes. Here, in this study, we use project and correct to estimate high-precision relative locations of events from an earthquake sequence beneath the town of Pahala, Hawaii, using high-precision correlation-derived picks. The sequence was active from 2020 through 2022 and produced many highly correlated signals at Hawaii Volcano Observatory (HVO) stations on the island of Hawaii. The data we inverted consisted of 2882 events with observations at 5 HVO stations. For comparison with the travel-time image, we also produced conventional hypocenter solutions using both the Bayesloc program (Myers et al., 2007, 2009) and a purpose-built double-difference code. There were obvious structural elements in the resulting image, the resolution of which we used to test the performance of the project and the correct algorithm. For the projection step, we first produced a 3D local basis using an singular value decomposition (SVD) of the 2882 groups of times. Projection of the travel-time vectors into this basis resulted in an image with structures similar to those produced by our conventional locators, but with distortion as predicted by theory. Removing the distortion requires an inverse operator generated from the metric tensor at the geometric centroid of the events. We compared two approaches to obtaining such an inverse operator. The first uses an estimate of the geographic centroid of the event cloud from the centroid of the travel-time data. The second approach uses the centroid of the conventionally produced locations. The first approach produces a corrected image very similar to the conventional results, but with a rotation. The corrected image produced using the conventionally derived centroid is a near-exact match to the conventional locations.

Dodge, Douglas A. [Lawrence Livermore National Lab↗
DOE OSTI2024

NCAP: Noncanonical Amino Acid Parameterization Software for CHARMM Potentials

Noncanonical Amino Acids (NCAAs) provide numerous avenues for introduction of novel functionality to peptides and proteins. NCAAs can be incorporated through solid phase synthesis or genetic code expansion in conjugation with heterologous expression of the encoded protein modification. Due to the difficulty of synthesis, wide chemical space and lack of empirically resolved structures modeling the effects of NCAA mutation is critical for rational protein design. To evaluate the structural and functional perturbations NCAAs introduce we utilize molecular potentials that describe the forces in protein structure. Most potentials such as CHARMM are designed to model canonical residues but can be parameterized in include novel NCAAs. Here, in this work, we introduce NCAP a software package to generate CHARMM compatible parameters from quantum chemical calculation. Unlike currently available tools NCAP is designed to recognize NCAA structure and automatically bridge the gap between DFT calculations and potential parameters. For our software we discuss workflow, validation against canonical parameter sets and comparison to published NCAA-protein structures.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Principles and Options for Designing Battery Energy Storage Zoning Ordinances

Deployment of battery energy storage (BESS) systems, both standalone and as part of hybrid systems paired with generation, has rapidly increased in the United States in recent years as utilities and communities have deployed storage to improve electric grid reliability and act as a cost-effective alternative to larger grid infrastructure. The modular nature of BESS technologies means systems may be built near other existing land uses, creating the potential for conflicts with neighboring landowners that can be managed and mitigated through zoning and permitting requirements established by local jurisdictions. While many cities and counties have adopted ordinances specific to BESS into their local zoning codes, these ordinances vary significantly in their requirements and level of detail. Meanwhile, many other jurisdictions, including those home to proposed or existing BESS projects, lack any specific language related to BESS in their zoning codes. Local planning and zoning officials have limited capacity and may lack the familiarity with BESS technologies needed to develop ordinances or otherwise make reasonable zoning decisions that balance safety, community impacts, and other goals. The resulting uncertainty at the local zoning level has led developers to withdraw projects in some areas and has spurred moratoria or bans on energy storage projects in others. This report intends to provide practical resources for practitioners interested in reasonable and effective local regulation of battery energy storage. It does not present a model zoning ordinance, but rather is intended to complement model ordinances developed by others by providing additional context and analysis regarding the structure of energy storage zoning ordinances and the decision points for local officials. Zoning ordinances at the city, town, and county level across the U.S. were surveyed alongside two template model ordinances to identify common elements and options for regulating the zoning and siting of BESS. Common elements identified and analyzed include definitions and general requirements, including cutoffs or tiers used to apply regulations to different system sizes and the permitted zones where jurisdictions allow BESS to be sited; visual, noise, and aesthetic requirements, including property line setbacks, fencing and visual screening, noise, and lighting requirements; and safety and planning requirements, such as site plans, decommissioning plans or funds, and requirements for access by emergency services. The report also summarizes some of the more unique regulations, including those that place additional restrictions on BESS at the local level.

25 ENERGY STORAGE↗
DOE OSTI2025

TPCpp-10M: Simulated proton-proton collisions in a time projection chamber for AI foundation models

Scientific foundation models hold great promise for advancing nuclear and particle physics by improving analysis precision and accelerating discovery. Yet, progress in this field is often limited by the lack of openly available large scale datasets, as well as standardized evaluation tasks and metrics. Furthermore, the specialized knowledge and software typically required to process particle physics data pose significant barriers to interdisciplinary collaboration with the broader machine learning community. This work introduces a large, openly accessible dataset of 10 million simulated proton-proton collisions, designed to support self-supervised training of foundation models. To facilitate ease of use, the dataset is provided in a common NumPy format. In addition, it includes 70,000 labeled examples spanning three well defined downstream tasks: track finding, particle identification, and noise tagging, to enable systematic evaluation of the foundation model's adaptability. The simulated data are generated using the Pythia Monte Carlo event generator at a center of mass energy of $\sqrt{s}$ = 200 GeV and processed with Geant4 to include realistic detector conditions and signal emulation in the sPHENIX Time Projection Chamber at the Relativistic Heavy Ion Collider, located at Brookhaven National Laboratory. This dataset resource establishes a common ground for interdisciplinary research, enabling machine learning scientists and physicists alike to explore scaling behaviors, assess transferability, and accelerate progress toward foundation models in nuclear and high energy physics. The complete simulation and reconstruction chain is reproducible with the sPHENIX software stack. All data and code locations are provided under Data Accessibility.

Data Analysis, Statistics and Probability (physics↗
DOE OSTI2025

Modeling Continuous Online Refueling with SCALE 6.3.1 and Serpent-2 in the EIRENE Novel Molten Salt Reactor Design

The Molten Salt Reactor (MSR) is a Generation IV advanced fission reactor design in which the coolant, and in some cases the fuel itself, is in the form of liquid molten alkali-halide salts with a fluoride or chloride ionic base. In liquid-fueled MSRs, reactor refueling may be performed online, where fresh fuel salt is added to the core during operation without the need for shutdown periods. Refueling for these reactor designs is typically modeled using either a batch or continuous refueling approach, both of which can be simulated with the SCALE 6.3.1 and Serpent-2 code systems. However, the specific manner in which they are implemented can vary depending upon the desired rate of refueling, whether the refueling rate is constant or variable, and consideration of salt drainage for systems where the in-core salt volume is kept constant. In a novel MSR fuel cycle concept termed the “Sourdough” fuel cycle, fuel salt is allowed to “grow” within the core, with excess salt either being transferred to an external holding tank to maintain a constant core volume or diverted to an upper plenum within the core to allow for volume growth. In this work, continuous refueling was modeled in a thermal-spectrum, LEU-fueled, small MSR design operating with the Sourdough fuel cycle using the SCALE 6.3.1 and Serpent-2 codes. Two different continuous refueling approaches were simulated, with the performance of each being compared to determine which is most suitable for use with the Sourdough fuel cycle concept.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Comparative mitogenomics of kingdom Fungi – evolutionary insights and metagenomic applications

Mitochondria are essential components of eukaryotic cells, responsible for ATP production through oxidative phosphorylation. Despite their biological importance, unique challenges have hindered the adoption of automated mitochondrial genome (mitogenome) annotation methods, obstructing mitochondrial comparative genomics in a broad evolutionary context. Using Fungi as a study system and a Joint Genome Institute (JGI) annotated high-quality reference set, we observed broad patterns of mitochondrial evolution across the kingdom. We found that the median fungal mitogenome size is 58 kb and identified exceptionally large examples over 1 Mb in Pezizomycetes. All 14 expected oxidative phosphorylation protein-coding genes, plus rps3, were generally conserved. We found evidence of major evolutionary transitions within the Ascomycota, including the transfer of mitochondrially encoded atp8 and atp9 to the nuclear genomes across the Pezizomycotina and shifts in mitogenome tRNA patterns across the kingdom. We found substantial concordance between mitochondrial and nuclear evolution, enabling us to document 3131 total fungal mitogenomes from JGI-derived metagenomic datasets. We also identified 6467 total undeclared mitogenomes embedded in Genbank fungal nuclear assemblies. We provide interactive tools for mitogenome analysis through the JGI MycoCosm platform. Collectively, this work generated nearly 10 000 new fungal mitogenome annotations, providing a foundation and resources for future exploration of comparative fungal mitogenomics.

Ahrendt, Steven R. [USDOE Joint Genome Institute (↗
DOE OSTI2024

Forward Modeling of Gamma Reaction History Signatures From Anticipated Deuterium-Tritium Filled MagLIF Implosions on Sandia’s Z-Machine

Nuclear reaction history measurements provide a bang time and burn width of Inertial Confinement Fusion (ICF) implosions and are essential for understanding implosion performance to constrain ICF capsule design. When fusion fuel contains Deuterium (D) and Tritium (T) gas, reaction history is informed by measuring the 16.75 MeV gamma rays generated from the D(T,γ) 5 He reaction. Such DT based reaction history measurements have not been made on the Magnetized Laser Inertial Fusion (MagLIF) platform on Sandia’s Z-Machine due to the lack of Tritium being used. The recent development of ICF implosions with tritiated fuel will open the possibility of measuring the gamma reaction history on the Z-Machine. A forward model of the Gamma Reaction History diagnostic on Z (GRH-Z) has been developed using the MCNP6.3 (Monte-Carlo N-Particle) radiation transport code. The model included the Z-Machine geometry of interest to characterize the impact of neutron induced gamma rays on the DT reaction history measurements. In addition, the impulse response functions of the GRH-Z diagnostic to understand the temporal response of the detector, and the minimum yields required to make a reaction history measurement were calculated. This approach also predicted that with T 2 gas doping of MagLIF implosions a reaction history may be made for high performance shots >8e12-2.4e13 depending on the chosen threshold for the detector, with a maximum signal to background ratio of 25%. It was found that for long duration ICF implosions that additional collimation will be needed to prevent the neutron induced gamma rays from modifying the shape of the measured DT reaction history curve.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

2025 Advances in NekRS: Supporting improved performance for nuclear applications

This report presents several 2025 advancements in NekRS, a high-fidelity spectral element CFD code developed at Argonne National Laboratory to support the NEAMS thermal-hydraulics program. The forthcoming v25 release consolidates several of these advances, adding new features for portability across heterogeneous GPU architectures, real-time in situ visualization, improved turbulence modeling, and conjugate heat transfer coupling. Over the past year, NekRS has demonstrated strong scalability and performance on DOE’s leading exascale platforms, including Aurora and Frontier, confirming its readiness for some of the largest and most complex simulations attempted to date. These achievements provide a powerful new platform for high-fidelity data generation, which in turn supports the development and validation of advanced closure models critical for reactor safety and design. Significant algorithmic innovations have also been introduced. A new global runtime h-refinement capability simplifies workflows by reducing mesh preparation burdens and enabling coarse-to-fine restarts. Building on this, a novel multigrid strategy was implemented to accelerate pressure and transport solves at scale, addressing long-standing bottlenecks in exascale CFD. Together, these developments improve both the efficiency and accessibility of high-fidelity simulations for reactor-relevant problems. Collectively, these enhancements represent a major step forward in simulation technology, positioning NekRS as a cornerstone of NEAMS efforts to enable accurate, efficient, and scalable high-fidelity analysis of advanced nuclear systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗