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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 649 records · Page 36

Benchmark Calculation for BEAVRS Cycles 1 and 2 Using the SCALE 6.3/Polaris–PARCS v3.4.2 Code Package

This study performed the benchmark calculation for BEAVRS to validate the SCALE 6.3/Polaris–PARCS v3.4.2 code package with the ENDF/B-VII.1 56-group library, comparing the simulated results with the measured data. The benchmark results will be used in evaluating uncertainties of the SCALE/Polaris–PARCS code package for pressurized water reactor physics analysis for key nuclear parameters such as reactivity, control bank worth, temperature coefficients, and pin and assembly power peaking factors. This report details plant and fuel design specifications and input data for SCALE/Polaris as well as GenPMAXS and PARCS. Additionally, detailed information is provided for all the input and output files produced for the benchmark calculations. The benchmark results are summarized herein so that they can be used in evaluating uncertainties for key nuclear parameters with other benchmark results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Theory and User Manual for the Thermal Hydraulic Code SE2-ANL

A theory and user manual of thermal hydraulic code SE2-ANL was prepared in this work, to resolve the missing documentation. SE2-ANL, a special version of SUPERENERGY-2, is a multi-assembly steady-state Liquid Metal Reactor (LMR) core thermal hydraulic analysis code, and it was developed in the 1980s, but no complete documentation was ever made. This report describes the detailed methodology of the temperature calculation, inherited from (original) SUPERENERGY-2, and fuel and cladding temperature calculation capabilities as well as many other features which were incorporated in SE2-ANL. The input and output of SE2-ANL are also demonstrated in detail, using some simple models. The orificing zone capability as well as some other useful features of SE2-ANL are discussed.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Mini Report: LLMs for Vulnerability Repair in Code

Software vulnerability repair is a notoriously difficult task that is both time consuming and labor intensive. While research into this area has a long history, the recent successes of large language models (LLMs) across many tasks have also spurred efforts to leverage LLM capabilities for automated software vulnerability repair. Currently, there are limitations in the capabilities of LLMs to fix bugs and insufficiently addressed problems in the evaluations of these studies may cause performance to not transfer when they are used in practice. Additionally, most research in the area treats finding and fixing bugs as separate concerns - how to best combine all the subtasks involved in removing vulnerabilities from code remains an open question. In this report, we summarize our findings and opinions on the current state of the art in LLM-assisted code vulnerability repair, highlighting current unresolved problems in the field as well as potential applications and future research.

97 MATHEMATICS AND COMPUTING↗

SIERRA Code Coupling Module: Arpeggio User Manual (V.5.26)

The SNL Sierra Mechanics code suite is designed to enable simulation of complex multiphysics scenarios. The code suite is composed of several specialized applications which can operate either in standalone mode or coupled with each other. Arpeggio is a supported utility that enables loose coupling of the various Sierra Mechanics applications by providing access to Framework services that facilitate the coupling. More importantly Arpeggio orchestrates the execution of applications that participate in the coupling. This document describes the various components of Arpeggio and their operability. The intent of the document is to provide a fast path for analysts interested in coupled applications via simple examples of its usage.

97 MATHEMATICS AND COMPUTING↗

Multiphysics Modeling of Microreactors with NEAMS codes, and Validation Based on KRUSTY Reactivity Insertion

The NEAMS Multiphysics Applications team continues to assess code usability and functionality for microreactor design and safety analyses, while demonstrating that NEAMS tools capture both steady-state and transient behavior across distinct microreactor concepts. In FY2025, the team advanced full-core, high-fidelity, multiphysics models that solve more complex problems and strengthen verification/validation for several microreactor systems: heat-pipe microreactor (HPMR), gas-cooled microreactor (GCMR), and the KRUSTY experiment. These models employ the MOOSE MultiApp/Transfers architecture with Griffin for neutronics, BISON for heat conduction/thermomechanics, Sockeye for heat pipes, SAM/THM for coolant channels and loops, and SWIFT for hydride behavior, with meshes generated via the MOOSE Reactor Module. The graphite models available in the Grizzly code were also investigated for future analyses. For the HPMR, a Na-HPMR variant was constructed to align with recently validated heat-pipe experiments and Sockeye’s LCVF capability, enabling mechanistic heat-pipe transients and startup modeling. The Na-HPMR will serve as the primary model for HPMR investigations in upcoming tasks. The load-following and single heat-pipe failure scenarios (Griffin/BISON/Sockeye), which were previously modeled for the K-HPMR, were replicated for the Na-HPMR, showing strong negative temperature feedback and highly localized thermal effects, respectively, while the startup case captured vapor-front progression and heat-removal activation. Solid mechanics was added to the previously built K-HPMR full-core model in BISON, showing minimal impact on steady-state reactivity yet enabling stress-field predictions that prepare the path for full-core TRISO performance analyses. For the GCMR, automated steady-state and four transient scenarios were executed using Griffin/BISON/SAM/SWIFT. Results confirm robust inherent safety: power collapses promptly in loss-of-cooling events, the inlet-temperature drop settles to a new equilibrium, and a single-channel blockage yields only a ~30 K local fuel-temperature rise with <0.4% power decrease. SWIFT-predicted hydrogen redistribution affects reactivity during both steady-state and transient conditions, underscoring its importance. A Brayton-cycle balance of plant (BOP) model in SAM/THM demonstrated stable startup behavior, and xenon-driven reactivity during load following was analyzed. To improve TRISO-compact temperature fidelity, a fast multiscale Heat Source Decomposition (HSD) treatment was implemented. Against heterogeneous benchmarks, HSD reduces underprediction of kernel temperatures and lowers predicted peak powers in reactivity-insertion transients compared to previous homogenized models. KRUSTY warm-critical validation progressed from FY2024 baselines: the 15Ȼ insertion shows excellent agreement in peak power (~2% high) and temperature trends, and the 30Ȼ case was automated via a feedback controller that maintained power near 3 kW for ~150 s with close agreement to data. The successful modeling of the warm critical tests has laid a strong foundation for simulating more complex nuclear system tests in the years ahead. Throughout FY2025, developer feedback was provided (e.g., MOOSE batch mesh generation, distributed pre-split meshes, Griffin sweeper on displaced meshes), several new models were contributed to the Virtual Test Bed, and an OECD-NEA WPRS multiphysics benchmark based on the HPMR was initiated to enable broader cross-comparison and best-practice development with the nuclear community at large.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

SIMD Programming for the SMASH Shock Physics Code

Many modern CPUs that are available to the NNSA as mission computing resources support vector instruction sets. Making good use of vector instructions, referred to as “vectorization”, is often critical to getting the best performance from these CPUs. While other codes choose to rely on compiler auto-vectorization, the SMASH shock physics code chooses to leverage APIs for explicit vectorization. These APIs are similar to directly calling the CPU vendor’s vector intrinsics, with the additional benefit of being vendor-agnostic. This document explains what the SIMD APIs are and how to use them in developing SMASH.

97 MATHEMATICS AND COMPUTING↗

SIERRA Code Coupling Module: Arpeggio User Manual - Version 5.28

The SNL Sierra Mechanics code suite is designed to enable simulation of complex multiphysics scenarios. The code suite is composed of several specialized applications which can operate either in standalone mode or coupled with each other. Arpeggio is a supported utility that enables loose coupling of the various Sierra Mechanics applications by providing access to Framework services that facilitate the coupling. More importantly Arpeggio orchestrates the execution of applications that participate in the coupling. This document describes the various components of Arpeggio and their operability. The intent of the document is to provide a fast path for analysts interested in coupled applications via simple examples of its usage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

SIERRA Code Coupling Module: Arpeggio User Manual - Version 5.30

The SNL Sierra Mechanics code suite is designed to enable simulation of complex multiphysics scenarios. The code suite is composed of several specialized applications which can operate either in standalone mode or coupled with each other. Arpeggio is a supported utility that enables loose coupling of the various Sierra Mechanics applications by providing access to Framework services that facilitate the coupling. More importantly Arpeggio orchestrates the execution of applications that participate in the coupling. This document describes the various components of Arpeggio and their operability. The intent of the document is to provide a fast path for analysts interested in coupled applications via simple examples of its usage.

97 MATHEMATICS AND COMPUTING↗

The Sparks tracking code

This note introduces a new tracking code, Sparks, built on the foundations laid by hemod4 and designed for fast tracking of large ensembles of single particles over thousands of turns. The code is intended for the rapid evaluation of nonlinear lattice behavior through observables such as detuning, Poincaré sections, and smear, providing a computationally efficient alternative to large-scale dynamic aperture studies during lattice design and optimization.

43 PARTICLE ACCELERATORS↗

Stability optimization of energetic particle driven modes in nuclear fusion devices: the FAR3d gyro-fluid code

The development of reduced models provide efficient methods that can be used to perform short term experimental data analysis or narrow down the parametric range of more sophisticated numerical approaches. Reduced models are derived by simplifying the physics description with the goal of retaining only the essential ingredients required to reproduce the phenomena under study. This is the role of the gyro-fluid code FAR3d, dedicated to analyze the linear and nonlinear stability of Alfvén Eigenmodes (AE), Energetic Particle Modes (EPM) and magnetic-hydrodynamic modes as pressure gradient driven mode (PGDM) and current driven modes (CDM) in nuclear fusion devices. Such analysis is valuable for improving the plasma heating efficiency and confinement; this can enhance the overall device performance. The present review is dedicated to a description of the most important contributions of the FAR3d code in the field of energetic particles (EP) and AE/EPM stability. FAR3d is used to model and characterize the AE/EPM activity measured in fusion devices as LHD, JET, DIII-D, EAST, TJ-II and Heliotron J. In addition, the computational efficiency of FAR3d facilitates performing massive parametric studies leading to the identification of optimization trends with respect to the AE/EPM stability. This can aid in identifying operational regimes where AE/EPM activity is avoided or minimized. This technique is applied to the analysis of optimized configurations with respect to the thermal plasma parameters, magnetic field configuration, external actuators and the effect of multiple EP populations. In addition, the AE/EPM saturation phase is analyzed, taking into account both steady-state phases and bursting activity observed in LHD and DIII-D devices. The nonlinear calculations provide: the induced EP transport, the generation of zonal structures as well as the energy transfer towards the thermal plasma and between different toroidal/helical families. Finally, FAR3d is used to forecast the AE/EPM stability in operational scenarios of future devices as ITER, CFETR, JT60SA and CFQS as well as possible approaches to optimization with respect to variations in the most important plasma parameters.

Alfv én Eigenmodes↗

Demonstration of Pronghorn’s Subchannel Code Modeling of Liquid-Metal Reactors and Validation in Normal Operation Conditions and Blockage Scenarios

Pronghorn-SC is a subchannel code within the Multiphysics Object-Oriented Simulation Environment (MOOSE). Initially designed to simulate flows in water-cooled, square lattice, subchannel assemblies, Pronghorn-SC has been expanded to simulate liquid-metal-cooled flows in triangular lattices, hexagonal subchannel assemblies. For this purpose, the algorithm of Pronghorn-SC was adapted to solve the subchannel equations as they are applicable to a hexagonal wire-wrapped sodium-cooled fast reactor. Cheng–Todreas models for pressure drop and cross-flow models were adopted and a coolant heat conduction term was added. To solve these equations, an improved implicit algorithm was developed robust enough to deal with the numerical issues, associated with low flow and recirculation phenomena. To confirm the prediction capability of Pronghorn-SC, calculations and comparisons with available experimental data of 19- and 37-pin assemblies were performed, as well as other subchannel codes. Finally, a flow blockage modeling feature was added. This capability was validated for both water-cooled square sub-assemblies and sodium-cooled hexagonal sub-assemblies, using experimental data of partially and fully blocked cases.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

High-Resolution Scanning Coded-Mask-Based X-ray Multi-Contrast Imaging and Tomography

Near-field X-ray speckle tracking has been used in phase-contrast imaging and tomography as an emerging technique, providing higher contrast images than traditional absorption radiography. Most reported methods use sandpaper or membrane filters as speckle generators and digital image cross-correlation for phase reconstruction, which has either limited resolution or requires a large number of position scanning steps. Recently, we have proposed a novel coded-mask-based multi-contrast imaging (CMMI) technique for single-shot measurement with superior performance in efficiency and resolution compared with other single-shot methods. We present here a scanning CMMI method for the ultimate imaging resolution and phase sensitivity by using a coded mask as a high-contrast speckle generator, the flexible scanning mode, the adaption of advanced maximum-likelihood optimization to scanning data, and the multi-resolution analysis. Scanning CMMI can outperform other speckle-based imaging methods, such as X-ray speckle vector tracking, providing higher quality absorption, phase, and dark-field images with fewer scanning steps. Scanning CMMI is also successfully demonstrated in multi-contrast tomography, showing great potentials in high-resolution full-field imaging applications, such as in vivo biomedical imaging.

Qiao, Zhi (ORCID:0000000233928732)↗

Validation of the SCALE/Polaris-PARCS Code Procedure with the ENDF/B-VII.1 AMPX 56-Group Library: Pressurized Water Reactor

This study was conducted to validate the SCALE/Polaris v6.3.0–PARCS v3.4.2 code procedure with the Evaluated Nuclear Data File (ENDF)/B-VII.1 AMPX 56-group library for pressurized water reactor (PWR) analysis, by comparing simulated results with measured data for critical experiments and operating PWRs. Uncertainties of the SCALE/Polaris–PARCS code procedure for PWR analysis were evaluated in the validation for the PWR key nuclear parameters such as critical boron concentrations, reactivity, control bank work, temperature coefficients, and pin and assembly power peaking factors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Entity—Hardware-agnostic Particle-in-cell Code for Plasma Astrophysics. II. General Relativistic Module

Black hole (BH) environments often host plasmas that are fully collisionless or contain intrinsically collisionless regions, including relativistic jets and coronae, where particle energization is ubiquitous. Capturing the physics of these systems requires numerical methods capable of modeling relativistic, magnetized, collisionless plasmas in strong gravitational fields. In this work, we introduce the general relativistic module for Entity—the first open-source, coordinate-agnostic, performance-portable, particle-in-cell code. The code enables fast axisymmetric simulations of collisionless plasmas around BHs on any modern high-performance computing architecture (both GPUs and CPUs).

Galishnikova, Alisa [Flatiron Institute, New York,↗

Code for BALDR Study 07.05 v.1.0.0

SAND2024-01293O The Code for BALDR Study 07.05 software reproduces results from the BALDR study concerning "A Semi-Supervised Learning Method to Produce Explainable Radioisotope Proportion Estimates for NaI-based Synthetic and Measured Gamma Spectra." The code for BALDR Study 07.05 can reproduce a scientific study following the step numbers within the file names. Using synthetic and measured data to find the best model for the radioisotope proportion estimation task of interest, the study generated results for inclusion in a paper. The high-level methods involved are neural networks, semi-supervised learning, and out-of-distribution detection. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Morrow, Tyler↗

ACDC (Automated Campbell Diagram Code) [SWR-26-042]

This application provides a web-based graphical user interface to generating Campbell Diagrams and visualizing mode shapes for OpenFAST turbine models. Determining the aeroelastic stability and dynamic characteristics of wind turbines is a critical step in turbine design and analysis. Historically, extracting natural frequencies and mode shapes from OpenFAST—the industry-standard whole-turbine simulation code—has been a fragmented and tedious process. It required manual model configuration, command-line linearization execution, and complex post-processing via proprietary scripts to handle rotating-frame dynamics. To address these workflow bottlenecks, we present the Automated Campbell Diagram Code (ACDC), an open-source graphical software tool developed by the National Laboratory of the Rockies (NLR) under the DOE-funded Distributed Wind Aeroelastic Modeling (dWAM) project. ACDC streamlines the end-to-end linearization and stability analysis workflow into a single, intuitive cross-platform application. The software guides users through OpenFAST model configuration, definition of operating points, and the automated execution of steady-state trim and linearization simulations. Under the hood, ACDC automates the complex mathematical post-processing steps required for rotating systems, including Multi-Blade Coordinate (MBC) transformations, eigenanalysis, and advanced modal tracking utilizing the Modal Assurance Criterion (MAC) and spectral clustering. Finally, ACDC processes these results to automatically generate Campbell diagrams and features a robust 3D visualization engine to animate full-system mode shapes. By eliminating the reliance on external post-processing environments and manual data manipulation, ACDC significantly accelerates dynamic analysis and lowers the barrier to entry for wind energy researchers and engineers.

Summerville, Brent [National Laboratory of the Roc↗

Data and Code for: Observation-constrained agroecosystem model inversion reveals continental-scale variation of winter wheat traits

This repository contains the simulation outputs and processing scripts associated with the study of winter wheat traits across the United States, utilizing the Ecosys agroecosystem model. The dataset includes model results for both rainfed and irrigated winter wheat systems, supporting the findings presented in the manuscript titled "Observation-constrained agroecosystem model inversion reveals continental-scale variation of winter wheat traits." Data includes the original Ecosys simulation outputs (archived in .db format within the compressed .zip files) and extracted analysis data (stored in .pkl files for efficient processing). Python code for data processing and figure generation is provided in a Jupyter notebook. External Observational Datasets should refer to the following official repositories for the input and validation data used in this study. The eddy covariance data from the AmeriFlux network (https://ameriflux.lbl.gov/). Climate-forcing data of NLDAS-2 from NASA LDAS (https://ldas.gsfc.nasa.gov/nldas/nldas-2-forcing-data). Soil data from the Gridded Soil Survey Geographic Database (gSSURGO), available at (https://www.nrcs.usda.gov/resources/data-and-reports/gridded-soil-survey-geographic-gssurgo-database). Crop yields, planting and harvest dates from the USDA public databases (https://quickstats.nass.usda.gov/; https://webapp.rma.usda.gov/apps/actuarialinformationbrowser/CropCriteria.aspx). Satellite-derived SLOPE GPP data from ORNL DAAC (https://daac.ornl.gov/cgi-bin/dsviewer.pl?ds_id=1786). Land use and crop progress information from the USDA Crop Data Layer and Crop Progress and Condition Gridded Layers (https://www.nass.usda.gov/Research_and_Science/). The Ecosys model code is available online at https://github.com/jinyun1tang/ECOSYS.

Wheat↗

Code to map Xray reflectivity data from real space to reciprocal space

Code to map X-ray reflectivity data from real space to reciprocal space. The code is written as a Jupyter notebook. Example data are included as a separate file (example_data.csv). These data were collected on a Panalytical XRD system. As a first step, run all cells in the notebook. Opportunities are identified for users to make their own choices for choosing the boundaries of the region of interest to estimate background. A simple algorithm is used to estimate background from the outer regions of the data collection region, interpolating the result inside the region of interest. The background is removed and then the data mapped to Qx-Qz (reciprocal space) coordinates. The results are written as NumPy binary and Matlab formatted files.

Fitzsimmons, Michael [Oak Ridge National Lab. (ORN↗