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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Design-to-Deployment Continuum Platform for Microscopes and Computing Ecosystems

Science ecosystems with networked computing systems and physical instruments are increasingly being deployed with a goal to achieve the productivity promised by AI-supported remote automation. In support of these efforts, the virtual infrastructure twins (VITs) have been successfully utilized to develop the orchestration codes for these ecosystems without requiring physical access to expensive instruments, such as electron microscopes. Currently, the utility of such a VIT is severely limited by the computing capacity and capability of the computing system used as its host. Furthermore, codes developed on the VIT typically need to be transferred and refactored for production use, particularly, on high-performance systems with accelerators. In response, we develop a design-to-deployment continuum platform wherein a VIT runs natively on the ecosystem's own computing system, and thereby facilitates the continual in-situ testing and transition of codes for production use. Here, we describe the development and testing of software for remote microscope steering and GPU-based image reconstruction using this platform on a multi-GPU computing system networked to Nion microscopes. We demonstrate a continual transition of steering and reconstruction codes developed under VIT platform to production ecosystem deployment.

Al-Najjar, Anees [Oak Ridge National Laboratory (O↗
DOE OSTI2025

Creating the Distributed Energy Resources Education Center (DEREC)

The built environment in the United States consumes 40% of the energy generated and emits roughly the same percentage of total carbon footprint. Distributed energy resources (DER), small or modular energy generation and storage technologies, present the nation with an opportunity to substantially improve those metrics while securing the nation’s energy independence. As opportunities increase for implementing such technologies, they also continue to evolve and often outpace the nation’s traditional building practices. In an effort to effectively and proactively incorporate distributed energy resources into the nation’s energy supply, Southface Energy Institute convened with national and regional partners to create the Distributed Energy Resources Education Center (DEREC). Using national model codes and their regionally amended versions as a collective starting point, the DEREC team collaborated with industry experts and identified impediments to effective implementation of DERs, developing discipline-specific curriculum to eliminate those impediments. The center, developed in collaboration with Interstate Renewable Energy Committee (IREC) and National Buildings Institute (NBI), leverages existing DER education content as well as new and dynamic training materials and online courses that collectively engage the many roles necessary for DER implementations, including designers, code officials, builders and skilled trades, and building owners who specify, inspect, build, operate, and maintain buildings with DERs.

14 SOLAR ENERGY↗
DOE OSTI2025

Verification of the REBUS Software

Ongoing design activities at Argonne National Laboratory are requiring a thorough verification of the Argonne Reactor Computation codes be performed. REBUS is central to this system. The driver for this effort requires the Triangular-Z and hexagonal-Z core geometry options of REBUS to be verified. Previous work identified the REBUS features required to be verified to support current design activities, features of which are generally applicable to hexagonal-Z fast reactor designs. The scope of this verification effort includes verifying REBUS’s ability to correctly intepret the user input model, verifying that the features identified yield the intended results, and verifying the correctness of the REBUS output tables. The REBUS software verification relies heavily upon the accuracy of the embedded DIF3D software, the verification of which was completed and documented elsewhere. Given that DIF3D produces an accurate solution, the primary focus of the verification in the REBUS software is to ensure that it properly uses the DIF3D solution and that the depletion system (Bateman equations) are correctly implemented. This manuscript reiterates the verification tasks and displays results with respect to the features needed for current design activities. Analytic solutions of the Batemen equations are displayed and the results calculated with REBUS are displayed demonstrating the accuracy. Since coupled Bateman and neutron diffusion/transport solutions are extremely difficult to obtain, much of the focus is placed on how REBUS uses a given DIF3D solution assuming the accuracy of the DIF3D solution. The verification effort identified no issues that are debilitating or otherwise impactful to the design usage of REBUS, and thus REBUS version 11.0, release 3012 is considered verified. It is important to note that several outputs of REBUS are identified to be inaccurate, such as burnup in MWD/MT. Most of the relevant ones for VTR are generally accurate with 10-20% errors which is not impactful as all regular REBUS users are aware of this issue and know how to hand calculate the results. The REBUS manual further makes it clear that these values are consistent with the methodology being used by REBUS and thus the “errors” are more of an inconsistent definition with respect to what a user would expect given a definition in literature. Other issues that were identified included unclear documentation and software bugs all of which were inconsequential to the final results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Reactive-transport modeling of fracture flow to quantify the changes in flow pathways from matrix thermal contraction and mineral precipitation and dissolution; influence of grid resolution

A series of reactive-transport models of Enhanced Geothermal Systems (EGS) were constructed using the reactive transport code PFLOTRAN to examine the effect of matrix thermal contraction and mineral dissolution/precipitation on fracture flow in the context of grid cell size and model complexity. It was found that for thermal drawdown at production well, the impact of fracture zone grid cell size is negligible.

Gatz-Miller, Hannah Sarah↗
DOE OSTI2026

NREL Hydrogen Sensor Testing Laboratory and Smart Hydrogen Wide Area Monitoring

The NREL Hydrogen sensor laboratory aims to ensure that hydrogen sensor technology is available to meet end-user needs and to foster the proper use of sensors by advancing next generation sensing and analysis techniques, supporting codes and standards development, and improving component reliability systems.

08 HYDROGEN↗
DOE OSTI2025

Fault Tolerant Decoding of QLDPC-GKP Codes with Circuit Level Soft Information

Concatenated bosonic-stabilizer codes have recently gained prominence as promising candidates for achieving low-overhead fault-tolerant quantum computing in the long term. In such systems, analog information obtained from the syndrome measurements of an inner bosonic code is used to inform decoding for an outer code layer consisting of a discrete-variable stabilizer code such as a surface code. The use of Quantum Low-Density Parity Check (QLDPC) codes as an outer code is of particular interest due to the significantly higher encoding rates offered by these code families, leading to a further reduction in overhead for large-scale quantum computing. Recent works have investigated the performance of QLDPC-GKP codes in detail, and the use of analog information from the inner code significantly boosts decoder performance. However, the noise models assumed in these works are typically limited to depolarizing or phenomenological noise. In this paper, we investigate the performance of QLDPC-GKP concatenated codes under circuit-level noise, based on a model introduced by Noh et al. in the context of the surface-GKP code. To demonstrate the performance boost from analog information, we investigate three scenarios: (a) decoding without soft information, (b) decoding with precomputed error probabilities but without real-time soft information, and (c) decoding with real-time soft information obtained from round-to-round decoding of the inner GKP code. Results show minimal improvement between (a) and (b), but a significant boost in (c), indicating that real-time soft information is critical for concatenated decoding under circuit-level noise. We also study the effect of measurement schedules with varying depths and show that using a schedule with minimum depth is essential for obtaining reliable soft information from the inner code.

Borah, Shantom K. [Arizona U. (main)]↗
DOE OSTI2025

A review of future weather data for assessing climate change impacts on buildings and energy systems

The effectiveness of climate change impact assessments and the development of adaptation strategies depend on the availability of high-quality future weather data. However, significant gaps exist between the needs of the energy research community and the focus of the climate modeling community, primarily due to a historical lack of communication and collaboration between the two groups. Here, to address this issue, this work provides a comprehensive overview of the critical aspects involved in creating future weather data for building and energy system modeling, including emissions scenarios, general circulation models, downscaling methods, categories of future weather data, and uncertainties in climate simulations. Moreover, it critically evaluates the applicability and suitability of various types of future weather data in five key application scenarios: energy use analysis, resilience analysis, HVAC design, utility-scale analysis, and renewable energy analysis. Finally, this work presents recommendations for high-level actions and research directions to foster collaboration between the energy research and climate modeling communities and to promote the integration of future weather data into energy codes and the design practices of buildings and energy systems.

Climate change↗
DOE OSTI2026

Constructing field-aligned coordinate systems for gyrokinetic simulations of tokamaks in X-point geometries

Structures in tokamak plasmas are elongated along the direction of the magnetic field and short in the directions perpendicular to the magnetic field. Many tokamak simulation codes take advantage of this by using a field-aligned coordinate system. However, field-aligned coordinate systems have a coordinate singularity at magnetic X-points where the poloidal magnetic field vanishes, which makes it difficult to use field-aligned coordinate systems when simulating the core and scrape-off layer simultaneously. Here, we present an algorithm for grid generation and computing geometric quantities in a standard field-aligned coordinate system that avoids the singularity and allows one to conduct two-dimensional gyrokinetic axisymmetric simulations in X-point geometries. Convergence tests of advection, boundary value problems and geometric quantities all show greater than first-order convergence even in the vicinity of the X-point. We also demonstrate the geometric consistency of our algorithm with an example simulation of the spherical tokamak for energy production, which shows machine-precision particle conservation.

fusion plasma↗
DOE OSTI2024

Using containers to speed up development, to run integration tests and to teach about distributed systems

GlideinWMS is a workload manager provisioning resources for many experiments including CMS and DUNE. The software is distributed both as native packages and specialized production containers. Following an approach used in other communities like web development we built our workspaces, system-like containers to ease development and testing. Developers can change the source tree or check out a different branch and quickly reconfigure the services to see the effect of their changes. In this paper, we’ll talk about what differentiates workspaces from other containers. We’ll describe our base system composed of three containers. A one-node cluster including a compute element and a batch system. A GlideinWMS Factory controlling pilot jobs. And a scheduler and Frontend, to submit jobs and provision resources. Additional containers can be used for optional components. This system can easily run on a laptop and we’ll share our evaluation of different container runtimes, with an eye for ease of use and performance. Finally, we’ll talk about our experience as developers and with students. The GlideinWMS workspaces are easily integrated with IDEs like VS Code, simplifying debugging and allowing development and testing of the system also when offline. They simplified the training and onboarding of new team members and Summer interns. And they were useful in workshops where students could have first-hand experience with the mechanisms and components that, in production, run millions of jobs.

Mambelli, Marco↗
DOE OSTI2025

Using Containers to Speed Up Development, to Run Integration Tests and to Teach About Distributed Systems

GlideinWMS is a workload manager provisioning resources for many experiments, including CMS and DUNE. The software is distributed both as native packages and specialized production containers. Following an approach used in other communities like web development, we built our workspaces, system-like containers to ease development and testing. Developers can change the source tree or check out a different branch and quickly reconfigure the services to see the effect of their changes. In this paper, we will talk about what differentiates workspaces from other containers. We will describe our base system, composed of three containers: a one-node cluster including a compute element and a batch system, a GlideinWMS Factory controlling pilot jobs, and a scheduler and Frontend to submit jobs and provision resources. Additional containers can be used for optional components. This system can easily run on a laptop, and we will share our evaluation of different container runtimes, with an eye for ease of use and performance. Finally, we will talk about our experience as developers and with students. The GlideinWMS workspaces are easily integrated with IDEs like VS Code, simplifying debugging and allowing development and testing of the system even when offline. They simplified the training and onboarding of new team members and summer interns. And they were useful in workshops where students could have first-hand experience with the mechanisms and components that, in production, run millions of jobs.

Mambelli, Marco [Fermilab] (ORCID:0000000294892681↗
DOE OSTI2024

Large-Scale Hydrogen Storage Cyber Risk Assessment

Hydrogen storage systems are becoming more widely deployed throughout the country, and as their presence continues to grow, it is possible that individual and interconnected systems will be exposed to cyber-attacks. These events can cause physical and financial harm to employees, people in the vicinity, and to the company that owns the facility. The two main mechanisms malicious actors may access information or control from a hydrogen storage facility are through information technology and operations technology devices, the former of which refers to data and information from networked devices and the latter of which refers to onsite controls for the physical system. Both types of entryways into the system should be considered when facility managers conduct cyber risk assessments and when regulators develop or revise relevant codes and standards. This report analyzes cybersecurity risks applicable to a wide variety of hydrogen storage systems by outlining the system's purpose and the importance of its cybersecurity. The hydrogen storage system architecture and communication protocols are provided to understand potential cyber vulnerabilities. Later, an event tree analysis is performed on hydrogen operation to identify system weaknesses by outlining potential attack scenarios. This report also identifies critical cyber assets related to different hydrogen operations followed by an examination of potential threats, and the impact of cyber assets on those operational assets.

08 HYDROGEN↗
DOE OSTI2025

Serpent - Bison - THM Preliminary Multiphysics Modeling of a Nuclear Thermal Propulsion System Fuel Assembly

This work demonstrates the Monte Carlo neutronic and Thermo-Hydraulic coupling scheme using the Serpent code and MOOSE application Bison and Thermo Hydraulic Module. The coupling scheme is then applied to the reference BWX Technologies Nuclear Ther- mal Propulsion system at he fuel assembly level where it’s used to perform an analysis of the isothermal material coefficients and potential material reactivity worth. A method is developed to isolate which feedback effects should be considered for proceeding with reduced order deterministic neutronic modeling where branch off analysis must be con- ducted. The convergence behavior of the coupling scheme is demonstrated where it fol- lows the standard Picard iteration approach. Verification studies for the method of deduc- ing relevant feedback effects is also demonstrated.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

The Method of Finite Averages

The Method of Finite Averages (MoFA) is a rigorous multiscale modeling methodology for efficiently modeling multi-physical phenomena in heterogeneous porous media. The code developed in this project aims to perform the numerical calculations required to formulate, implement, and verify MoFA models for Earth and Energy systems (i.e., model verification refers to performing fully-resolved simulations of the systems and comparing their results to those of the models). In general, MoFA transforms partial differential equations (PDEs) describing the fine-scale physics of a system into coupled ordinary differential equations (ODEs)---in time---that describe the coarse-scale---or "average"---physical behaviors of the system. This transformation significantly expedites system simulation, as the coarse-scale ODEs involve vastly fewer degrees of freedom than the fine-scale PDEs. The code developed under this project will allow users to 1.) generate system geometries and numerical meshes, 2.) solve the PDE and ODE systems required for MoFA model formulation and implementation, 3.) solve the PDE systems required to obtain fully-resolved simulation results for model verification, and 4.) compare and plot results (e.g., the model and fully-resolved simulation solutions, the error between the solutions, etc.).

Pietrzyk, KyleM [Lawrence Livermore National Labor↗
DOE OSTI2024

High- and Mid-Fidelity Modeling Comparison for a Floating Marine Turbine System

There is a lack of suitable numerical tools, particularly open-source tools, that can be used for designing and optimizing marine turbine systems. The National Renewable Energy Laboratory has added features to their widely used mid-fidelity wind turbine modeling code, OpenFAST, to enable modeling of axial-flow marine turbines. This necessitated the addition of several physical effects relevant to marine turbines that are neglected for wind turbines. These include buoyancy, added mass and inertial loads, wave-current superposition, and changes to the coordinate systems. This updated version of OpenFAST allows for the modeling of both fixed and floating marine turbines at a speed comparable to real time. While efficient for large sets of load cases and design studies, mid-fidelity codes make simplifying assumptions that may impact their accuracy. High-fidelity computational fluid dynamics (CFD) simulations can capture more flow effects with fewer assumptions and provide detailed body pressure mapping and flow-field information. It is important to compare predictions between mid-fidelity and high-fidelity codes, both to verify the models and to understand the limitations. A floating marine turbine system was modeled both with OpenFAST and with the commercial CFD code STAR-CCM+. The CFD model used a three-dimensional unsteady Reynolds-averaged Navier-Stokes solver for a volume-of-fluid numerical wave and current tank. The blade-resolved simulations used the sliding-interface technique for the spinning rotor and an overset grid to accommodate the rigid-body motion of the floating system. The mooring system was modeled with a custom coupling of the CFD solver with the open-source code MoorDyn. This improves upon the existing quasi-static catenary solver in STAR-CCM+, which lacks seabed contact or line-to-line connections. Simulation results for a floating marine turbine are compared between OpenFAST and CFD, highlighting the capabilities of the mid-fidelity code and identifying the areas where a high-fidelity approach is needed.

CFD↗
DOE OSTI2025

Eucalyptus – An Analysis Suite for Fault Trees with Uncertainty Quantification

Eucalyptus is a novel code developed at Lawrence Livermore National Laboratory to incorporate uncertainty quantification into Fault Tree Analysis (FTA). This tool addresses the challenge of imperfect knowledge in “grey-box” systems by allowing analysts to incorporate and propagate uncertainty from component-level assessments to system-level effects. Eucalyptus facilitates a consistent evaluation of the impact of subject matter expert judgment and knowledge gaps on overall system response by Monte Carlo generation of possible system fault trees, sampling probabilities of the existence of subsystems and components. Here, the code supports the specification of fault trees through text and allows export to various formats, including auto-generated images, easing analysis and reducing errors. It has undergone extensive verification testing, demonstrating its reliability and readiness for deployment, and leverages on-node parallelism for rapid analysis. Example analyses are shown that include the identification of system failure paths and quantification of the value of further information about system components.

Fault Tree Analysis↗
DOE OSTI2026

Evaluation of Hardware and Software Bill of Materials (HBOMs/SBOMs) Extraction Methods

Hardware and software bills of materials (HBOMs and SBOMs) provide important visibility into the components, dependencies, and supply chain relationships within programmable digital devices. This visibility is critical for advanced nuclear reactor applications, where use of common or shared hardware components, software libraries, suppliers, or manufacturing processes may create common cause failure (CCF) vulnerabilities despite apparent diversity. This paper evaluates current approaches for obtaining and analyzing HBOMs and SBOMs in support of CCF, diversity and defense-in-depth (D3) assessments, and begins to explore potential methods for artificial intelligence/machine learning-based analysis. The availability of BOM information from advanced reactor manufacturers and vendors, representative hardware and software categories found in advanced reactor systems continues to limit research [13]. This paper compares commonly used BOM formats, including CycloneDX, SPDX, and SWID. It also surveys publicly available tools for generating BOMs from source code, compiled binaries, and hardware-related information, noting limitations in language coverage, system age, and format interoperability. Finally, this paper evaluates methods for correlating BOM data with vulnerability and exploitability information, including VEX, CVE, and CWE resources. The findings indicate that publicly available nuclear-vendor BOMs are limited, making third-party extraction and research into novel analysis techniques necessary.

Cybersecurity↗
DOE OSTI2025

Simulation of 24,000 Electron Dynamics: Real-Time Time-Dependent Density Functional Theory (TDDFT) with the Real-Space Multigrids (RMG)

Here, we present the theory, implementation, and benchmarking of a real-time time-dependent density functional theory (RT-TDDFT) module within the RMG code, designed to simulate the electronic response of molecular systems to external perturbations. Our method offers insights into nonequilibrium dynamics and excited states across a diverse range of systems, from small organic molecules to large metallic nanoparticles. Benchmarking results demonstrate excellent agreement with established TDDFT implementations and showcase the superior stability of our time integration algorithm, enabling long-term simulations with minimal energy drift. The scalability and efficiency of RMG on massively parallel architectures allow for simulations of complex systems, such as plasmonic nanoparticles with thousands of atoms. Future extensions, including nuclear and spin dynamics, will broaden the applicability of this RT-TDDFT implementation, providing a powerful toolset for studies of photoactive materials, nanoscale devices, and other systems where real-time electronic dynamics is essential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Neutronics and Thermo-Fluids Simulation of Generic Pebble-Bed Fluoride-Salt-Cooled High-Temperature Reactor

The fluoride-salt-cooled high-temperature reactor (FHR) is one of the advanced reactors that has been attracting considerable interest from both the research community and the nuclear industry. To help facilitate the nuclear community's familiarity with the FHR, Kairos Power has developed a generic FHR (gFHR) benchmark. In the research performed here, this benchmark was used to assess innovative modeling methods that combine stochastic and deterministic computer codes to perform the design and analysis of the gFHR. Further, the Monte Carlo code Serpent 2 was used to generate few-group cross sections that were then used in the neutron diffusion and thermal-fluids code AGREE to perform full-core neutronics and thermal-fluids steady-state and transient core analysis. The Argonne National Laboratory code SAM was then used to model the gFHR system and to simulate the load-follow operation of the gFHR.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗