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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 505 records · Page 28

Heats of Segregation of BCC Binaries from Ab Initio and Quantum Approximate Calculations

We compare dilute-limit segregation energies for selected BCC transition metal binaries computed using ab initio and quantum approximate energy methods. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent parameters. Quantum approximate segregation energies are computed with and without atomistic relaxation. Results are discussed within the context of segregation models driven by strain and bond-breaking effects. We compare our results with full-potential quantum calculations and with available experimental results.

Good, Brian S.↗

Surface Segregation Energies of BCC Binaries from Ab Initio and Quantum Approximate Calculations

We compare dilute-limit segregation energies for selected BCC transition metal binaries computed using ab initio and quantum approximate energy method. Ab initio calculations are carried out using the CASTEP plane-wave pseudopotential computer code, while quantum approximate results are computed using the Bozzolo-Ferrante-Smith (BFS) method with the most recent parameterization. Quantum approximate segregation energies are computed with and without atomistic relaxation. The ab initio calculations are performed without relaxation for the most part, but predicted relaxations from quantum approximate calculations are used in selected cases to compute approximate relaxed ab initio segregation energies. Results are discussed within the context of segregation models driven by strain and bond-breaking effects. We compare our results with other quantum approximate and ab initio theoretical work, and available experimental results.

Good, Brian S.↗

Hourly Electricity Demand Profiles for Each County in the Contiguous United States

This dataset provides estimated hourly electricity demand for each county in the contiguous United States from 2016-2023. The demand profiles represent the sum of two components: (1) Weighted averages of reported hourly demand profiles for North American Electric Reliability Corporation balancing authority (BA) regions and subregions, scaled to match annual estimates of county-level retail sales and direct use of electricity and weighted by the estimated percentage of county load served by each BA region or subregion. (2) Weighted averages of modeled hourly, county- and sector-level distributed photovoltaic (DPV) capacity factor profiles, scaled to match annual estimates of on-site consumption of DPV-generated electricity for each county and weighted by the percentage of consumption attributable to each sector Annual county-level retail sales are estimated by aggregating utility-reported sales to the state level and allocating the results to counties according to each county's share of state population. Annual county-level direct use is calculated by aggregating power plant-reported direct use values. Annual county-level on-site consumption of DPV-generated electricity is estimated by aggregating utility-reported net metering data to determine the amount of DPV-generated electricity sold back to the grid for each state, subtracting those values from modeled state-level DPV generation estimates, and allocating the results to counties according to each county's share of statewide modeled DPV generation. The open-source Python code used to develop this dataset is available at "Historical Load Data Repository" link below.

14 SOLAR ENERGY↗

SEAS Communication Engine: An Extensible, Flexible Wrapper for Co-Simulation Agents

When modeling and analyzing the power grid and other large scale systems, researchers often express scenarios as optimization problems and feed them into advanced software solvers. In order to allow multiple solvers to communicate with each other and share data from different domains, the National Renewable Energy Laboratory (NREL) and associated Department of Energy (DOE) labs have developed a software framework called the Hierarchical Engine for Large-scale Infrastructure Co-Simulation (HELICS). HELICS allows cosimulation via a collection of client libraries for different languages that can be called from the appropriate optimization software. However, these client libraries do not provide a higher level of abstraction beyond reading and writing data off of the shared HELICS bus. In this paper, we describe a new software library called the SEAS Communication Engine that exposes a higher-level API for running cosimulation problems. The SEAS Engine provides a class-based abstraction on top of the Python HELICS client, in order to allow users to implement their domain-specific cosimulations without needing to interact with core HELICS primitives. This will make adoption of HELICS and cosimulation in general easier, by exposing a simpler API. In the second part of the paper, we validate our library on a collection of different simulation examples, including the canonical IEEE 13 Bus Feeder. Lastly, we demonstrate using the SEAS Engine to directly call domain-specific code written in the Julia programming language. Our hope is that this will serve as a template for easily calling software in different programming languages via the SEAS Engine, thereby avoiding code duplication and complexity.

co-simulation↗

Calibration and comparison of the NASA Lewis free-piston Stirling engine model predictions with RE-1000 test data

A free-piston Stirling engine performance code is being upgraded and validated at the NASA Lewis Research Center under an interagency agreement between the Department of Energy's Oak Ridge National Laboratory and NASA Lewis. Many modifications were made to the free-piston code in an attempt to decrease the calibration effort. A procedure was developed that made the code calibration process more systematic. Engine-specific calibration parameters are often used to bring predictions and experimental data into better agreement. The code was calibrated to a matrix of six experimental data points. Predictions of the calibrated free-piston code are compared with RE-1000 free-piston Stirling engine sensitivity test data taken at NASA Lewis. Resonable agreement was obtained between the code predictions and the experimental data over a wide range of engine operating conditions.

Geng, Steven M.↗

Calibration and comparison of the NASA Lewis free-piston Stirling engine model predictions with RE-1000 test data

A free-piston Stirling engine performance code is being upgraded and validated at the NASA Lewis Research Center under an interagency agreement between the Department of Energy's Oak Ridge National Laboratory and NASA Lewis. Many modifications were made to the free-piston code in an attempt to decrease the calibration effort. A procedure was developed that made the code calibration process more systematic. Engine-specific calibration parameters are often used to bring predictions and experimental data into better agreement. The code was calibrated to a matrix of six experimental data points. Predictions of the calibrated free-piston code are compared with RE-1000 free-piston Stirling engine sensitivity test data taken at NASA Lewis. Reasonable agreement was obtained between the code prediction and the experimental data over a wide range of engine operating conditions.

Geng, Steven M.↗

Adapting CLUTCH methodology to multigroup TSUNAMI-3D for eigenvalue sensitivity calculations

The sensitivity of the eigenvalue to uncertainties in nuclear data and its evaluation are important for nuclear criticality safety. TSUNAMI-3D sequences within the SCALE code system offer several options to the user community for calculating eigenvalue sensitivity coefficients with multigroup (MG) and continuous energy (CE) 3D transport capabilities. TSUNAMI-3D sequences implement the adjoint-based perturbation theory with MG KENO code, the Contributon Linked eigenvalue sensitivity/Uncertainty estimation via Track length importance CHaracterization (CLUTCH) method with CE KENO code, and the Iterated Fission Probability (IFP) method with CE KENO and Shift codes. Each method has benefits and limitations depending on the problem that is run. The work presented here aims to adapt the CLUTCH method, which enables the Contributon method's mesh-free, memory-efficient approach for calculating adjoint-weighted tallies for sensitivity calculations, to the MG TSUNAMI-3D sequence. This application would eliminate the explicit adjoint KENO calculation, as well as the memory-consuming mesh flux moment tallies required by the conventional MG TSUNAMI-3D. Smaller memory footprints in the CLUTCH methodology and relatively shorter runtimes in MG KENO transport can make MG TSUNAMI-3D a viable method for some complex problems. Moreover, this adaptation allows MG sensitivity calculations with Shift, ORNL's next-generation high-performance Monte Carlo transport code, which currently does not offer any sensitivity capabilities with MG particle transport simulations. Initial implementation of the new MG TSUNAMI-3D sequence and its preliminary results with a selected critical benchmark experiment in the Verified, Archived Library of Inputs and Data (VALID) are presented in this study.

KENO↗

Machine Learning-Driven Optimization of Building Enclosures for Moisture Durability and Thermal Performance

The design of moisture-durable building enclosures with low embodied carbon often involves an iterative process of selecting the materials for the specific exposure conditions to meet the performance requirements. While hygrothermal simulations are commonly used to evaluate moisture durability, they often require advanced expertise for proper implementation. Machine learning (ML) provides a promising alternative by streamlining the design process and minimizing the reliance on complex simulations. This study presents a machine learning-based approach for predicting moisture durability in residential wall assemblies. The ML model was trained to estimate the mold index and maximum moisture content of various layers under typical exposure conditions. The model achieved a high predictive accuracy, with a coefficient of determination (R²) exceeding 0.90 when compared to traditional hygrothermal simulations on materials that were not part of training the ML model. Building on these results, the ML model was developed into a practical tool for optimizing wall assembly designs. This tool allows users to automatically optimize material selections based on energy, moisture, and carbon performance criteria. By incorporating multi-objective optimization, the tool identifies configurations that minimize embodied carbon while maintaining moisture safety and code-compliant thermal performance. Additionally, it provides insights into how material choices influence assembly durability, energy efficiency, and carbon reduction. The tool will be implemented in the Building Science Advisor (BSA) to enhance its performance and provide more granularity on the results. This research highlights the potential for ML-driven tools to simplify the design of high-performance building enclosures, offering architects and engineers a faster, more efficient way to balance critical performance factors.

Salonvaara, Mikael [ORNL] (ORCID:0000000318991554)↗

Understanding Solar Energetic Particles With STEREO HET

The project evaluates solar energetic particles (SEPs) in the Heliosphere utilizing in situ data from the STEREO mission. More specifically, raw data from the High Energy Telescope (HET) corresponding to the abundances and energy spectra of electrons, protons, He, and heavier nuclei was extracted. C codes were modified and written to analyze Pulse heights and fluxes in a readable format. Plots of the data were formulated in Python. Low fluxes of heavier elements prompted a revaluation of the onboard binning process. New selection criteria will be generated to orient the particle energy loss in the detectors with the expected locations of the energy tracks corresponding to each element.

Energetic Particles↗

Automated Hybrid Variance Reduction on Advanced Architectures in the Shift Monte Carlo Code

Monte Carlo transport methods are the most accurate schemes for solving problems with complex energy and spatial features, but they come with a high computational cost. Although hybrid methods have enabled the use of Monte Carlo transport for a large class of problems, they still require significant computing resources. Modern multicore CPUs with large numbers of compute cores and graphical processing units (GPUs) provide opportunities to optimize the memory and run-time costs of hybrid Monte Carlo methods. This paper documents the development and analysis of three Monte Carlo transport algorithms that support hybrid transport using the consistent adjoint-driven importance sampling (CADIS) and forward-weighted CADIS methods in the Shift Monte Carlo code: history-based transport using static and dynamic threading on multicore CPUs and event-based transport enabling weight window tracking on GPUs. The results are shown for two challenging hybrid problems on the Frontier supercomputer at the Oak Ridge Leadership Computing Facility. The results show that all three methods yield good performance and enable solutions of difficult fixed-source transport problems in less than 2 min on 20 nodes of Frontier. Dynamic threading was observed to give up to 20% better scaling behavior than static threading. Moreover, the AMD Instinct 250X GPU was found to give 9 to 11 times greater throughput per graphics compute die than the best CPU performance. In conclusion, additional opportunities for optimization of hybrid transport on GPUs are discussed.

Denovo↗

User’s Manual for RESRAD-RDD&IND Code Version 2: Vol. 1—Methodology and Models Used in RESRAD-RDD&IND Code

RESRAD-RDD&IND is part of the RESRAD family of codes that Argonne National Laboratory developed for the U.S. Department of Energy (DOE). An earlier version, RESRAD-RDD published in 2009, dealt only with radiological dispersal device (RDD) incidents (DOE 2009). This new version, RESRAD-RDD&IND, is designed to evaluate both RDD incidents and improvised nuclear device (IND) incidents. This report is Volume 1 of the RESRAD-RDD&IND User’s Manual that documents the methodology, models, and radionuclide-specific data used in RESRAD-RDD&IND code Version 2.0. Volume 2 of the RESRAD-RDD&IND User’s Manual is called the User’s Guide for RESRAD-RDD&IND Code . It describes how to use RESRAD-RDD&IND code Version 2.0 and includes screen shots and parameter information.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Advanced Manufactured Home Case Study: A Collaboration for High-Efficiency, Affordable Housing

The introduction of Zero Energy Ready Home Manufactured Homes (ZERH MH) qualification for manufactured homes has generated significant attention and interest in the industry to employ advanced manufacturing techniques. VEIC engaged with Titan Homes to create an advanced manufactured home design that employs ZERH standards, other client-driven above-code standards, and manufacturing processes improvements. This case study identifies specific energy-efficient and quality improvement measures that were implemented to achieve certification and take advantage of incentives for home manufacturers.

14 SOLAR ENERGY↗

CEM2k and LAQGSM Codes as Event-Generators for Space Radiation Shield and Cosmic Rays Propagation Applications

Space radiation shield applications and studies of cosmic ray propagation in the Galaxy require reliable cross sections to calculate spectra of secondary particles and yields of the isotopes produced in nuclear reactions induced both by particles and nuclei at energies from threshold to hundreds of GeV per nucleon. Since the data often exist in a very limited energy range or sometimes not at all, the only way to obtain an estimate of the production cross sections is to use theoretical models and codes. Recently, we have developed improved versions of the Cascade-Exciton Model (CEM) of nuclear reactions: the codes CEM97 and CEM2k for description of particle-nucleus reactions at energies up to about 5 GeV. In addition, we have developed a LANL version of the Quark-Gluon String Model (LAQGSM) to describe reactions induced both by particles and nuclei at energies up to hundreds of GeVhucleon. We have tested and benchmarked the CEM and LAQGSM codes against a large variety of experimental data and have compared their results with predictions by other currently available models and codes. Our benchmarks show that CEM and LAQGSM codes have predictive powers no worse than other currently used codes and describe many reactions better than other codes; therefore both our codes can be used as reliable event-generators for space radiation shield and cosmic ray propagation applications. The CEM2k code is being incorporated into the transport code MCNPX (and several other transport codes), and we plan to incorporate LAQGSM into MCNPX in the near future. Here, we present the current status of the CEM2k and LAQGSM codes, and show results and applications to studies of cosmic ray propagation in the Galaxy.

Mashnik, S. G.↗

'GAIM' - Gas-addition, impedance-matched arc driver

A conceptual view for a GAIM energy/driver system to maximize shock-tube performance through efficient interfacing of the energy source with the gas dynamics of the arc driver is presented. Electrical and arc-chamber requirements are evaluated utilizing two new computer codes. One code calculates the shock wave generated for a selected time rate and magnitude of arc-energy input; the other computes the values of external circuit elements required to produce the selected energy input, with the driver represented as the load element of the electrical discharge circuit. Results indicate that the energy-storage capability and the driver arrangement needed to produce the highest shock Mach number can be achieved by means of driver gas addition and by impedance matching (GAIM). Design criteria are presented for arc energy requirements necessary to produce given shock-wave speeds. Shock velocities as high as the 70 km/sec required for simulating Jovian entry now seem possible in shock-tube operation. Practical implementation of a GAIM system is discussed.

Dannenberg, R. E.↗

A study of the viscous and nonadiabatic flow in radial turbines

A method for analyzing the viscous nonadiabatic flow within turbomachine rotors is presented. The field analysis is based upon the numerical integration of the incompressible Navier-Stokes equations together with the energy equation over the rotors blade-to-blade stream channels. The numerical code used to solve the governing equations employs a nonorthogonal boundary fitted coordinate system that suits the most complicated blade geometries. Effects of turbulence are modeled with two equations; one expressing the development of the turbulence kinetic energy and the other its dissipation rate. The method of analysis is applied to a radial inflow turbine. The solution obtained indicates the severity of the complex interaction mechanism that occurs between different flow regimes (i.e., boundary layers, recirculating eddies, separation zones, etc.). Comparison with nonviscous flow solutions tend to justify strongly the inadequacy of using the latter with standard boundary layer techniques to obtain viscous flow details within turbomachine rotors. Capabilities and limitations of the present method of analysis are discussed.

Khalil, I.↗

SAM Enhancements for Air-Ingress Event Modeling in HTGRs

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 recent efforts and progress in addressing the code capability gaps in SAM for the modeling of the air-ingress phenomenon in High-Temperature Gas-Cooled Reactors (HTGRs). The capability enhancements implemented to the code include: a multi-component flow model to capture the air-helium mixture during air ingress, a 0-D graphite oxidation model to capture the reaction of graphite with oxygen in the air, and an isentropic critical flow model to more accurately predict the de-pressurization of the reactor system due to a small break in the primary loop. Verification cases and demonstrations are provided to showcase these capabilities in SAM. Existing gaps in the code’s capability are also identified.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Direct comparison of gyrokinetic and fluid scrape-off layer simulations

Typically, fluid simulations are used for tokamak divertor design. However, fluid models are only valid if the scrape-off layer (SOL) is highly collisional. This assumption is valid in many present-day experiments but is questionable in the upstream SOL of some high-power scenarios envisioned for burning plasmas and fusion pilot plants. This paper reports on comparisons between fluid and kinetic simulations of the SOL for upstream parameters and geometry representative of the Spherical Tokamak for Energy Production fusion pilot plant. The SOLPS-ITER (fluid) and Gkeyll (gyrokinetic) codes are operated in a two-dimensional axisymmetric mode, which replaces turbulence with ad-hoc diffusivities. In kinetic simulations, we observe that the ions in the upstream SOL experience significant mirror trapping. This substantially increases the upstream temperature and has important implications for impurity dynamics. We show that the mirror force, which is excluded in SOLPS’s fluid equations, enhances the electrostatic potential drop along the field line in the SOL. We also show that the assumption of equal main ion and impurity temperatures, which is made in commonly used fluid codes, is invalid for the regimes explored here. The combination of these effects results in superior confinement of impurities to the divertor region in kinetic simulations, consistent with our earlier predictions [Kotschenreuther et al., in 29th IAEA 29 Fusion Energy Conference (IAEA, London, UK, 2023)]. This effect can be dramatic, reducing the midplane impurity density by orders of magnitude. These results indicate that in lower collisionality SOL’s the tolerable downstream impurity densities may be higher than would be predicted by fluid simulations, allowing for higher radiated power while avoiding unacceptable core contamination. Our results highlight the importance of kinetic simulations for divertor design and optimization for fusion pilot plants.

Computational fluid dynamics↗

Thermal-Mechanic Modeling of Fusion Components Using The MOOSE Framework

With fusion energy rapidly developing, there is a great need for an open source tool that can rapidly model different fusion tokamak designs. The open-source codes Multiphysics Object Oriented Simulation Environment (MOOSE), Tritium Migration Analysis Program Version 8 (TMAP8) , and Fusion ENergy Integrated Multiphysi-X (FENIX) are being used to demonstrate thermal-mechanic modeling of fusion components. In this study, an analysis is done on the fusion nuclear science facility (FNSF) blanket, and ITER toroidal magnet and diverter mono block. This study will lay the groundwork for fusion component analysis in the MOOSE framework and FENIX program.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗