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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

Cybersecurity Platform and Certification Framework Development for Extreme Fast Charging (XFC)-Integrated Charging Ecosystem (Final Project Report)

This report summarizes a pioneering effort in Electric Vehicle charging infrastructure ecosystem cybersecurity requirements, assessment methodologies, functional verification, as well as embodiment of the key technologies in the form of hardware and software tools being made available to the public. EPRI led a team of experts, as well as a stakeholder coalition encompassing all key actors in the EV charging infrastructure ecosystem that includes eXtreme Fast Charging (XFC) equipment (defined as 200kW or above). EV charging infrastructure in the United States is a patchwork of networks that have continued to grow organically and have been designed to serve the charging needs of the EV owners, who are their customers. In doing so, each network provider, as well as their connected entities such as the cloud Electric Vehicle Service Providers or EVSPs, utility back office, utility AMI networks, payment networks, as well as Original Equipment Manufacturer (EV manufacturer) telematics networks, have designed systems that may work well individually, but no single entity is responsible for the entire ecosystem to be secure in terms of data exchange. Furthermore, there is no uniformity in how each actor has implemented the cybersecurity requirements since no system-wide cybersecurity requirements existed prior to this project. The final project report describes the technical approach guided by the EV charging infrastructure cybersecurity working group, convened specifically for this project. The technical approach included definition of requirements at the ecosystem level, treated as a ‘system of systems’, and then passed down to individual systems (EVSE, EV, cloud EVSP, utility, and the payment networks), followed by developing the cybersecurity risk and vulnerability assessment methods, that were later applied to real-world cyber-physical systems at EPRI, ANL, and NREL laboratories, to validate both the process and the results. Finally, in a spotlight over the most vulnerable equipment, which is the EV charge station (AC or DC), the team developed a multi-layer cybersecurity implementation in the embedded domain embodied by the open-source Secure Network Interface Card (SNIC) demonstrating the various ways in which the infrastructure can be secured protecting against the identified attack surfaces. Finally, the entire process of EV infrastructure cybersecurity assessment was encapsulated in the Electric Vehicle Charging Cybersecurity Management (EVC2M) online GUI-based tool, that is expected to be released to the public. The report presents the objectives, the technical approach, the key results, and recommendations for future work.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Numerical investigation of the AP1000 response following loss-of-coolant accident using PCTRAN and CFD to support R&D of SMRs

Small Modular Reactors (SMRs) present a promising solution for the future of sustainable energy, offering advantages such as reduced waste generation, advanced passive safety features, and potential cost efficiencies. Ongoing research focuses on the design and development of SMRs, addressing challenges through numerical simulations and experimental test data. Given that many next-generation reactors are first-of-a-kind (FOK), current operational reactors serve as valuable benchmarks for understanding various thermal-hydraulic phenomena during postulated design basis accidents (DBAs), including loss-of-coolant accidents (LOCA), main steam line breaks (MSLB), and steam generator tube ruptures (SGTR). This study employs the AP1000 model Personal Computer Transient Analyzer (PCTRAN) to simulate reactor responses to small-break LOCA scenarios, specifically analyzing break sizes of 2 and 10 inches. Additionally, ANSYS FLUENT software is utilized to assess containment responses to large-break LOCAs, focusing on the quantification of decay heat removal via natural convection. Verification of the PCTRAN results is achieved using Westinghouse data, with CFD results corroborating the findings. The outcomes demonstrate strong agreement with Westinghouse data, confirming the accuracy of the simulations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Using High-Resolution NSRDB Data to Evaluate Cloud Mask Forecast from WRF-Solar EPS

Validating spatiotemporal distributions of cloud forecasts using numerical weather prediction (NWP) models is difficult as this requires high-quality cloud-property at significantly high spatial and temporal resolution over extended periods of time. Observations of cloud properties, such as cloud mask, cloud optical thickness, and cloud type, are vital for assessing the capability of NWP models to forecast various types of clouds. Using the National Solar Radiation Database (NSRDB), this research evaluates ensemble cloud-mask predictions from the WRF-Solar ensemble prediction system (WRF-Solar EPS). From the WRF-Solar EPS, day-ahead solar forecasts for the contiguous United States (CONUS) for 2018 are simulated. Given the NSRDB data is accessible at a resolution of 2 km, we can calculate the cloud fraction across the 9-km grid of WRF-Solar EPS. This allows us to spatially assess the cloud-mask forecasts using two methods against the high-resolution NSRDB: (a) considering all 2-km NSRDB clouds in the forecast domain (EMAll), and (b) using a minimum cloud fraction threshold of 50% to designate a pixel as cloudy (EMP50). The low-resolution cloud masks from WRF-Solar EPS are evaluated directly against the cloud-resolving scale gridded observations from NSRDB using EMAll. With EMP50, we presume that scenes with less than 50% cloud cover from the 2-km NSRDB are clear. Thus, this assessment approach allows for a fair comparison with WRF-Solar EPS resolved to a 9-km grid. A method of point-by-point verification is used to evaluate dichotomous (yes/no) cloud mask predictions against the NSRDB. For each pixel of model extent, cloud frequency and traditional metrics (e.g., probability of detection, false alarm rate, and hit rate, etc.) are computed and compared with satellite-derived data sets. Mismatched cloud frequency (MCF) is computed to measure the present capability of WRF-Solar EPS in representing various types of clouds, which are categorized using three levels of cloud top height (CTH) and cloud optical depth (COD) across entire CONUS. Preliminary results show that the WRF-Solar EPS provides MCF values ranging from 9% to 46%, 16% to 33%, and 8% to 27% for low-level, middle-level, and high-level clouds, respectively, for three CTHs. The model produces MCFs ranging from 27% to 46%, 13% to 34%, and 8% to 19% for thin, medium-thickness, and thick clouds, respectively, for three CODs. The presentation will include a detailed description of the current outcomes as well as potential future extensions. The evaluation approach established in this study is readily extensible to the evaluation of cloud predictions from different ensemble NWP models. In addition, the findings of the suggested evaluation technique aid in identifying model weaknesses and will ultimately lead to advances in WRF-Solar EPS's skill in predicting clouds and solar irradiance.

cloud mask forecast↗
DOE OSTI2025

Observation of Chiral Magnon Band Splitting in Altermagnetic Hematite

Altermagnets, a new frontier for spintronics, represent a distinct magnet class with nonrelativisticsplitting of both electronic and chiral magnon bands, yet experimental verification of their unique magnondynamics remains scarce. In this Letter, inelastic neutron scattering experiments on α-Fe 2 O 3 reveal a clearmagnon band splitting about 3 meV at ∼100 meV. Here, we trace the origin of this splitting to the alternatingexchange interactions between the 13th nearest neighbors, as supported by first-principles calculations, andconfirm that the magnons have chiral splits by theoretical modeling. This definitive characterization ofchiral magnons in hematite provides the fundamental insight needed to design and control spin transport innovel spintronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

MTUQ: a framework for estimating moment tensors, point forces, and their uncertainties

SUMMARY We introduce MTUQ, an open-source Python package for seismic source estimation and uncertainty quantification, emphasizing flexibility and operational scalability. MTUQ provides MPI-parallelized grid search and global optimization capabilities, compatibility with 1-D and 3-D Green’s function database formats, customizable data processing, C-accelerated waveform and first-motion polarity misfit functions, and utilities for plotting seismic waveforms and visualizing misfit and likelihood surfaces. Applicability to a range of full- and constrained-moment tensor, point force, and centroid inversion problems is possible via a documented application programming interface, accompanied by example scripts and integration tests. We demonstrate the software using three different types of seismic events: (1) a 2009 intraslab earthquake near Anchorage, Alaska; (2) an episode of the 2021 Barry Arm landslide in Alaska; and (3) the 2017 Democratic People’s Republic of Korea underground nuclear test. With these events, we illustrate the well-known complementary character of body waves, surface waves, and polarities for constraining source parameters. We also convey the distinct misfit patterns that arise from each individual data type, the importance of uncertainty quantification for detecting multimodal or otherwise poorly constrained solutions, and the software’s flexible, modular design.

58 GEOSCIENCES↗
DOE OSTI2022

MCNP6.3 Unstructured Mesh Verification: GodivR and CANDU Models

A geometric cell of the Monte Carlo N-Particle (MCNP)1 transport code is traditionally created by using Boolean operators on defined surfaces. This constructive solid geometry (CSG) capability has been available in the MCNP code since its beginning. However, a CSG model approach is limited when it comes to constructing a representative geometry for a complex model in its ability to capture a correct model representation. Starting with the version 6.0, the MCNP code has the ability of embedding an unstructured mesh (UM) model into a CSG cell to create a hybrid geometry [1]. The MCNP UM feature provides the flexibility of defining very complex geometries because computer aided design (CAD) and mesh generation software packages can be utilized to construct UM models for MCNP simulations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

SynBio QC Dual Barcode QC (DBC) v1.0

This software was designed as a sequence validation tool for the assembly of synthetic constructs, where the constructs have a high degree of similarity and thus are barcoded prior to the sequencing library prep. It demultiplexes each FASTQ file for each barcode, then analyzes the resulting FASTQ files against a list of reference sequences for that barcode/library, combining the results from eight sequencing libraries to generate a summary, and the files needed to view the results in the Integrative Genomics Viewer (IGV) application for manual verification. This was developed for FASTQ files generated by PacBio sequencing, but could be used on any FASTQ files that do not have paired end reads. It can be used to analyze one - eight libraries at a time. Each construct is independently analyzed with only the sequences with the same barcode, in the same pooled library. Then the results are combined into a user friendly summary. This is used to identify which libraries of pooled sequences contains a perfect match, or fixable match to the reference file. This pipeline uses many freely available open source libraries, the value added is that in our application the steps of the pipeline are defined in Workflow Description Language (WDL) and run through the Cromwell workflow engine in Docker containers, for easy distribution and set up, as well as the user friendly html summary that is generated.

Simirenko, Lisa↗
DOE OSTI2025

Code Coverage Status of the ARC Code DASSH-F

The Argonne Reactor Code (ARC) software system supports users in their fast reactor design goals by providing neutronic, thermal-hydraulic, and structural analysis capabilities. DASSH-F serves as a steady state thermal hydraulic capability within the ARC system and replaces the SE2-ANL software that preceded it. This document identifies the set of test problems used to assess the code coverage for DASSH-F. The goal is to document what parts of the existing DASSH-F code are touched by the set of test problems and which are not. Because the verification work remains to be done on DASSH-F, one can assume that most of these issues will be resolved as part of that work. The code coverage analysis of DASSH-F was performed with the Code Coverage Tool of the Intel Fortran compiler which requires modifications to the compilation of DASSH-F. The code coverage tables are given for each submodule of DASSH-F. Because DASSH-F links to modules in DIF3D, some details on coverage changes to the DIF3D linked files is provided. As will be seen, most of the uncovered parts/files can be ignored because they are either for error message and debugging output or obviously not needed by DASSH-F today. Seven features of the DASSH-F code were identified to not be covered by the existing testing suite and thus additional verification test problems are suggested to fully cover these sections.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2021

HTR-1.3 solver: Predicting electrified combustion using the hypersonic task-based research solver

Here this manuscript presents an updated open-source version of the Hypersonics Task-based Research (HTR) solver. The solver, whose main features are presented in Di Renzo et al. (2020) and Di Renzo & Pirozzoli (2021), is designed for direct numerical simulation of reacting flows at high Reynolds numbers. This new version extends the applications of the HTR solver to turbulent combustion in the presence of external electric fields. In particular, a new distributed Poisson solver compatible with heterogeneous architectures has been incorporated in the algorithm to compute the electric potential distribution in bi-periodic configurations. The drift fluxes of the electrically charged species are now included in the transport equations using a targeted essentially non-oscillatory scheme. A verification of these new features of the solver is provided using one-dimensional burner stabilized flames, whereas a three dimensional turbulent flame is utilized to discuss the scalability of the proposed numerical tool.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Open Building Control

Best practice control sequences are often not implemented correctly, or are not implemented at all, in large commercial buildings. This typically leads to 10-30 percent energy waste, along with reduced occupant productivity and unnecessary equipment wear. The current process of designing and implementing such control sequences is a manual process that starts with designers who often don’t have adequate training, then requires controls programmers to interpret and program a verbose written sequence. This process has been shown to fail to deliver high performance control sequences at scale. The Open Building Control project digitizes the current control delivery process. The project is developing tools for system designers to select control sequences, assess their energy performance and load flexibility potential using whole building simulation, specify the sequence for implementation using machine-to-machine translation by a control provider and formally testing the as-installed sequences by a commissioning agent. The project developed tools for each stage of this delivery process. The key innovation of the project is the development of the Control Description Language, a language that allows such a digitized control delivery process with end-to-end verification. Libraries of control sequences have been implemented using the Control Description Language, and their performance has been demonstrated using whole building energy simulation. An automated translation of such sequences to a commercial control product line has been conducted using a prototype translator. Tools for formal verification of as-installed control sequences relative to their specification have been developed and demonstrated. The American Society of Heating, Refrigerating and Air-Conditioning Engineers (ASHRAE) started the process of forming a committee to make this language an ASHRAE/ANSI Standard. This new standard will complement existing and emerging ASHRAE standards for building communication and semantic modeling by providing a standard for expressing the control logic - the actual brain of the building. We expect this language and the process it enables to be an important contribution to the deployment of high performance building control sequences at scale because it allows taming the complexity of the control delivery process, which is continually increasing due to the need for higher performance and increased load flexibility to meet goals for net zero energy and increased renewable integration.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Enhanced Hanford Low-Activity Waste Glass Property Data Development: Phase 2

This report summarizes and analyzes the data collected on a second test matrix of 42 low-activity waste (LAW) glass compositions intended to expand the LAW glass composition region over which glass property-composition models are valid. The 42 LAW glass compositions were selected using a statistical layered experimental design approach to explore a new glass composition region that overlaps and expands beyond the previously explored LAW glass composition region. The layered design of 42 LAW glasses consisted of 21 outer-layer glasses, 15 inner-layer glasses, a center glass (three replicates), and two glasses previously tested at another laboratory. The outer-layer glass compositions include extrema based on current projections of the LAW feeds and melter operating temperatures. One of the outer-layer compositions was eliminated due to the inability to form a glass. Therefore, only 41 glasses were analyzed. The analyses performed on these glasses include chemical composition (for target compositional verification), density, viscosity, electrical conductivity, crystal fraction, canister centerline cooling with crystal identification, the Product Consistency Test, sulfur solubility, and the Vapor Hydration Test. This report discusses the results obtained from this testing.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Coupling physics in machine learning to predict properties of high-temperatures alloys

Abstract High-temperature alloy design requires a concurrent consideration of multiple mechanisms at different length scales. We propose a workflow that couples highly relevant physics into machine learning (ML) to predict properties of complex high-temperature alloys with an example of the 9–12 wt% Cr steels yield strength. We have incorporated synthetic alloy features that capture microstructure and phase transformations into the dataset. Identified high impact features that affect yield strength of 9Cr from correlation analysis agree well with the generally accepted strengthening mechanism. As a part of the verification process, the consistency of sub-datasets has been extensively evaluated with respect to temperature and then refined for the boundary conditions of trained ML models. The predicted yield strength of 9Cr steels using the ML models is in excellent agreement with experiments. The current approach introduces physically meaningful constraints in interrogating the trained ML models to predict properties of hypothetical alloys when applied to data-driven materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Sensor Impacts Evaluation and Verification: Expert Interview Responses

The sensor configuration/deployment method has critical impacts on energy efficient building control and thermal comfort. However, traditional sensor techniques for building operation and fault detection and diagnostics (FDD) are not necessarily optimal in terms of energy efficiency and thermal comfort, and their global effects are not thoroughly investigated. In an effort to address and overcome this limitation, a multilaboratory and multiyear project, “Sensor Impact Evaluation and Verification,” was proposed. Its purpose is to develop a framework to investigate the impacts of sensor deployment and configuration on building energy optimization, FDD, occupant thermal comfort, and potentially grid efficiency. The first project task was a literature review to establish a solid knowledge of and a background related to sensor technologies and placement. To accomplish this task, an extensive review of previous research literature was performed. A series of expert interviews were conducted to augment the findings of the literature review. This report summarizes the interview design and interview results and findings. The interview was designed and performed to (1) investigate the current status and limitations of sensor configuration, (2) identify the research gaps and expectations for potential improvements in sensor configuration and deployment, and (3) integrate expert (e.g., researcher, building operation practitioner) knowledge and experience to develop use-case scenarios.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Multidimensional Numerical Modeling of Combustion Dynamics in a Non-Premixed Rotating Detonation Engine With Adaptive Mesh Refinement

In the present work, a novel computational fluid dynamics (CFD) methodology was developed to simulate full-scale non-premixed rotating detonation engines (RDEs). A unique feature of the modeling approach was the incorporation of adaptive mesh refinement (AMR) to achieve a good trade-off between model accuracy and computational expense. Here, unsteady Reynolds-averaged Navier–Stokes (RANS) simulations were performed for an Air Force Research Laboratory (AFRL) non-premixed RDE configuration with hydrogen as fuel and air as the oxidizer. The finite-rate chemistry model, along with a ten-species detailed kinetic mechanism, was employed to describe the H 2 -Air combustion chemistry. Three distinct operating conditions were simulated, corresponding to the same global equivalence ratio of unity but different fuel/air mass flowrates. For all conditions, the capability of the model to capture essential detonation wave dynamics was assessed. An exhaustive verification and validation study was performed against experimental data in terms of a number of waves, wave frequency, wave height, reactant fill height, oblique shock angle, axial pressure distribution in the channel, and fuel/air plenum pressure. The CFD model was demonstrated to accurately predict the sensitivity of these wave characteristics to the operating conditions, both qualitatively and quantitatively. A comprehensive heat release analysis was also conducted to quantify detonative versus deflagrative burning for the three simulated cases. The present CFD model offers a potential capability to perform rapid design space exploration and/or performance optimization studies for realistic full-scale RDE configurations.

42 ENGINEERING↗
DOE OSTI2021

Gemma V&V/UQ/Credibility Activities: FY2020 Progress

This report describes the credibility activities undertaken in support of Gemma code development in FY20, which include Verification & Validation (V&V), Uncertainty Quantification (UQ), and Credibility process application. The main goal of these activities is to establish capabilities and process frameworks that can be more broadly applied to new and more advanced problems as the Gemma code development effort matures. This will provide Gemma developers and analysts with the tools needed to generate credibility evidence in support of Gemma predictions for future use cases. The FY20 Gemma V&V/UQ/Credibility activities described in this report include experimental uncertainty analysis, the development and use of methods for optimal design of computer experiments, and the development of a framework for validation. These initial activities supported the development of broader credibility planning for Gemma that continued into FY21.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Assessment and Improvement of Fission Product Transport Predictions of Particle Fuel in BISON

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering-scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. This study was motivated by the need to incorporate more physics-based models in BISON in order to foster tri-structural isotropic (TRISO) applications. This document details the integration of new modeling capabilities in BISON, including (1) development of pyrolytic carbon (PyC) and silicon carbide (SiC) layer anisotropic thermal and mass transport capabilities, (2) verification of the mass diffusion solution in TRISO modeling, (3) calibration of fission product diffusivity using Advanced Gas Reactor (AGR) experiments, (4) improved fission product release modeling by developing compact diffusion modeling capabilities, and (5) documentation of accelerated failure analysis on the BISON website. Improvements made to the diffusion models and parameters were documented and validated against AGR-1 and -2 experiment data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Latent Pitfalls in Microstructure-Based Modeling for Thermally Aged 9Cr-1Mo-V Steel (Grade 91)

A case study was conducted on a mechanistic model development that predicted tensile strength deterioration with thermal aging of 9Cr-1Mo-V steel in supporting the 60-year design life expected for advanced nuclear reactors. For property prediction beyond practical testing times, mechanistic modeling is highly desired, as it taps into the physics of structure–property relationships and therefore can generate reliable results for extrapolation. Meanwhile, as mechanistic models are often complicated, reflecting the intricacy of microstructure and strengthening mechanisms, pitfalls that are difficult to detect often exist. Here, this paper discusses latent pitfalls that are common in mechanistic modeling or specific in this 9Cr-1Mo-V case development through using the American Society of Mechanical Engineers verification and validation in computational solid mechanics (ASME V&V 10) standard for evaluating credibility of modeling in materials engineering. Suggestions are also made for enhancing reliability of microstructure-based modeling.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Countering Weapons of Mass Destruction (CWMD) Zero Trust Framework: CWMD Zero Trust Principles Model

The research focuses on the critical need for enhanced cybersecurity within the Countering Weapons of Mass Destruction (CWMD) Office, specifically targeting Chemical, Biological, Radiological, and Nuclear devices. Traditional perimeter-based security models are insufficient against modern cyber threats, prompting a shift toward Zero Trust principles (ZTP) that emphasize continuous verification and stringent security for all devices. Federal directives mandate the adoption of Zero Trust (ZT) across agencies, supported by guidelines from National Institute of Standards and Technology (NIST), U.S. Department of Homeland Security (DHS) Cybersecurity and Infrastructure Security Agency (CISA), U.S. Department of Defense (DoD) and National Security Agency (NSA). The research involved mapping ZT guidance from these agencies to develop tailored CWMD ZTP. The study identified gaps and areas for improvement, including clear transitional guidance from traditional to ZT architectures and the focus on explicit cross cutting capabilities. Design improvements are recommended to ensure increased comprehensive protection and resilience against sophisticated cyber threats for Chemical, Biological, Radiological, and Nuclear (CBRN) devices. Collaborative efforts among federal agencies are essential for the successful deployment of an optimized ZT guidance.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗