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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Improvements to MOOSE user workflow through polyhedral elements, automation, and concise physics syntax

The MOOSE framework is a foundational capability used by the NEAMS program to create over 15 different simulation tools for advanced nuclear reactors. Due to MOOSE's broad use, improvements to the framework in support of modeling and simulation goals are critical to the program. Such improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work described in this report was conducted in direct support of NEAMS tools and includes: addition of support for polyhedral elements, incorporation of mesh smoothers for mesh repair, integration of the Physics and ActionComponents systems, expansion of the Convergence system, and exploration of automated input file generation. These five areas of development are fundamental capabilities that will be leveraged by many NEAMS applications.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2025

NEAMS Technical Area Support in MOOSE

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a foundational capability used by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to create over 15 different simulation tools for advanced nuclear reactors. Due to this ubiquity, improvements to the framework in support of modeling and simulation goals are critical to the program. These improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and other new capabilities. The work described in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities outlined in this report include implementing hash table matrix assembly for efficient sparsity pattern construction for contact in BISON, developing re-step testing infrastructure for ensuring the viability of overlapping domain coupling between SAM and Pronghorn, allowing unique preconditioners for single-input multi-system solves, supporting multi-system in MOOSE’s workhorse executioners, and many more smaller feature enhancements and bug fixes.

97 - MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Tough Errors are no Match (TEAM): Optimizing the Quantum Compiler for Noise Resilience

This project builds toward a comprehensive error-mitigating toolkit that makes quantum programming more robust and adaptive to the noisy, resource-limited nature of today’s quantum hardware. To that end, it integrates established error-mitigation methods — such as zero-noise extrapolation and dynamical decoupling — directly into compiler infrastructures. These techniques will be packaged as modules that can automatically adjust and combine based on performance analysis, enabling compilers to explore large design spaces and produce optimized, low-noise quantum programs with minimal manual intervention. In parallel, this project also explores new approaches to analog quantum programming or quantum simulation, and has developed the programming language SimuQ which treats quantum Hamiltonian evolution as the central object.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

FSEN Reaction Rate Calculations in MCNP [Slides]

FSEN provides an opportunity to quickly calculate sensitivities to orthogonal measurements during integral experiments. Toy problem has been deployed to expand on verification of FSEN for reaction rate ratios. While there is decent agreement, further investigation must be done on multiplication’s impact on sensitivity vector.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Laser Spectroscopy of Exotic Atoms and Molecules Containing Octupole-Deformed Nuclei

This project investigated the nuclear, atomic, and molecular structure of exotic atoms and molecules containing actinide isotopes. These short-lived radioactive systems are challenging to produce and study in the laboratory, yet they offer unique opportunities for fundamental science. These nuclei are predicted to exhibit pear-shaped (octupole) deformation, a rare collective nuclear behavior that dramatically enhances their sensitivity to fundamental physics phenomena such as time-reversal- and parity-violating effects. Such enhancements make them ideal probes for exploring open questions in our understanding of the universe such as the origin of the matter–antimatter asymmetry of the universe. To realize these measurements, the project led the development of a new laser spectroscopy experiment at MIT, and later commissioned at the Facility for Rare Isotope Beams (FRIB) at Michigan State University: the Resonance Ionization Spectroscopy Experiment (RISE). RISE combines the spectroscopic precision of collinear laser spectroscopy with the sensitivity of particle-detection techniques, enabling measurements of rare isotopes produced at rates as low as a few ions per second. The beamline was designed, built, and installed, and was successfully commissioned at FRIB during the grant period. RISE is now a permanent capability of the FRIB facility, and has produced several results on the study of rare atoms and molecules for nuclear structure and fundamental symmetries. In parallel with the FRIB program, the project contributed to the first precision laser-spectroscopy measurements of short-lived radioactive molecules. Working with international collaborators at CERN's ISOLDE facility, the team conducted pioneering experiments on radium monofluoride (RaF) and actinium monofluoride (AcF). The results from this work have been published in major journals of science, including Nature, Science, Nature Physics, Nature Communications, and Physical Review Letters. These findings have guided future experiments on the laser cooling of radioactive molecules, opening a new platform for precision tests of fundamental symmetries.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2024

A Full-Stack Exploration of Language-Based Parallelism in Fortran 2023

This poster explores native parallel features in Fortran 2023 through the lens of supporting applications with libraries, compilers, and parallel runtimes. The language revision informally named Fortran 2008 introduced parallelism in the form of Single Program Multiple Data (SPMD) execution with two broad feature sets: (1) loop-level parallelism via do concurrent and (2) a Partitioned Global Address Space (PGAS) comprised of distributed “coarray” data structures. Fortran’s native parallelism has demonstrated high performance [1] and reduced the burden of inserting what sometimes amounts to more directives than code. Several compilers support both feature sets, typically by translating do concurrent into serial do loops annotated by parallel directives and by translating SPMD/PGAS features into direct calls to a communication library. Our research focuses primarily on two questions: (1) can the compiler’s parallel runtime library be developed in the language being compiled (Fortran) and (2) can we define an interface to the runtime that liberates compilers from being hardwired to one runtime and vice versa. We are answering these questions by developing the Parallel Runtime Interface for Fortran (PRIF) [2] and the Co-Array Fortran Framework of Efficient Interfaces to Network Environments (Caffeine) [3]. Caffeine is initially targeting adoption by LLVM Flang, a new open-source Fortran compiler developed by a broad community in industry, academia, and government labs. We are also exploring the use of these features in Inference-Engine, a deep learning library designed to facilitate neural network training and inference for high-performance computing applications written in modern Fortran.

Rasmussen, Katherine↗
DOE OSTI2025

Automatically parallelizing batch inference on deep neural networks using Fiats and Fortran 2023 `do concurrent`

This paper introduces novel programming strategies that leverage features of the Fortran 2023 standard of the International Standards Organization (ISO) to automatically parallelize computations on deep neural networks. The paper focuses on the interplay of object-oriented, parallel, and functional programming paradigms in the Fiats deep learning library. We demonstrate how several infrequently used language features play a role in enabling efficient, parallel execution. Specifically, the ability to explicitly declare that a procedure is pure facilitates inference in the context of the language’s loop-parallelism construct `do concurrent`. Also, explicitly prohibiting the overriding of a parent type’s type-bound procedures eliminates the need for dynamic dispatch in performance-critical code. Finally, this paper uses batch inference calculations on a neural network surrogate for atmospheric aerosol dynamics to demonstrate that LLVM Flang compiler’s automatic parallelization of `do concurrent` achieves roughly the same performance and scalability as achieved by OpenMP compiler directives. We also demonstrate that double-precision inference costs 37–72% longer runtime than default-real precision with most values in the range 57-60%.

Rouson, Damian↗
DOE OSTI2025

Practical Implementation of GPU-based Computing at the Grid Edge for Resilience Scenarios

This paper presents a practical implementation of GPU-accelerated computing at the grid edge to enhance power system resilience through next-generation smart meters. Advanced Metering Infrastructure (AMI) systems rely predominantly on centralized processing architectures, which limit real-time response capabilities during grid disturbances. This work proposes the integration of GPU-enabled computational platforms directly within smart meter to enable local execution support for power system analytics, fault detection algorithms, and optimization routines. The proposed framework uses the Julia programming language to leverage highperformance parallel computing capabilities while maintaining code portability and development efficiency. We use two experimental scenarios to benchmark the computational feasibility of this approach: sparse linear system solutions representative of power flow analyses, and multi-stage production cost simulations incorporating unit commitment and economic dispatch operations. Results demonstrate that computationally intensive power system algorithms, such as those supporting resilience scenario calculations, can be effectively executed at the distribution edge using commercially available embedded GPU hardware. Keywords—GPU acceleration, edge computing, smart meters, grid resilience, AMI, resilience.

De Souza, Reubun [School of Electrical Engineering↗
DOE OSTI2025

Parallel sorting algorithm classification: is manual instrumentation necessary?

Understanding parallel algorithms is crucial for accelerating scientific simulations on complex, distributed memory, high-performance computers. Modern algorithm classification approaches learn semantics directly from source code to differentiate between algorithms, however, accessing source code is not always possible. We can learn about parallel algorithms from observing their performance, as programs running the same algorithms and using the same hardware should exhibit similar performance characteristics. We present an approach to learn algorithm classes from parallel performance data directly in order to classify algorithms without access to the source code. We extend previous work to enable classifying parallel sorting algorithms using automatic instrumentation instead of requiring manual region annotations in the source code. In this work, we design and demonstrate a study for classification of parallel sorting algorithms using parallel performance data collected from automatic instrumentation, and evaluate the performance of our new methodology on classification. We leverage Caliper to collect the performance data, Thicket for our exploratory data analysis (EDA), and PyTorch and Scikit-learn to evaluate the effectiveness of random forests, support vector machines (SVMs), decision trees, neural networks, and logistic regressions on parallel performance data. Additionally, we study noise in parallel performance data, whether the removal of noise and pre-processing of the data is necessary to accurately classify parallel sorting algorithms, and determine the effectiveness of features created from performance data. In conclusion, we demonstrate classification accuracy for these five different models of up to 97.7% across four different parallel algorithm classes.

Algorithm Classification↗
DOE OSTI2025

Performance Portability Evaluation of Fluid-Structure Interaction Simulations on Heterogeneous Platforms

The rapid proliferation of heterogeneous programming languages and multi-vendor hardware has underscored the critical need to evaluate the performance portability of scientific applications. In this work, we present the systematic porting and optimization of a massively parallel fluid-structure interaction code across multiple heterogeneous programming frameworks for deployment on leadership-class supercomputers from major vendors. Our analysis focuses on at-scale performance for simulations involving hundreds of millions of deformable cells, executed on a combination of CPUs and GPUs spanning thousands of nodes on exascale machines. We benchmark the performance of each implementation, highlighting the trade-offs inherent in adopting diverse programming models. Key insights regarding the portability of CUDA on multi-vendor platforms, the superior multi-core CPU performance from SYCL, and architectural considerations on performance optimization are distilled from our experience, offering guidance to other users of high performance computing based on our findings.

Martin, Aristotle [Duke University]↗
DOE OSTI2024

FLARE: field line analysis and reconstruction for 3D boundary plasma modeling

The FLARE code is a magnetic mesh generator that is integrated within a suite of tools for the analysis of the magnetic geometry in toroidal fusion devices. A magnetic mesh is constructed from field line segments and permits fast reconstruction of field lines in 3D boundary plasma codes such as EMC3-EIRENE. Both intrinsically non-axisymmetric configurations (stellarators) and those with symmetry breaking perturbations of an axisymmetric equilibrium (tokamaks) are supported. The code itself is written in Modern Fortran with MPI support for parallel computing, and it incorporates object-oriented programming for the definition of the magnetic field and the material surface geometry. Extended derived types for a number of different magnetohydrodynamic equilibrium and plasma response models are implemented. The core element of FLARE is a field line tracer with adaptive step-size control, and this is integrated into tools for the construction of Poincaré maps and invariant manifolds of X-points. A collection of high-level procedures that generate output files for visualization is build on top of that. The analysis modules are build with Python frontends that facilitate customization of tasks and/or scripting of parameter scans.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Lowering and Runtime Support for Fortran’s Multi-Image Parallel Features using LLVM Flang, PRIF, and Caffeine

This paper provides an overview of the multi-image parallel features in Fortran 2023 and their implementation in the LLVM flang compiler and the Caffeine parallel runtime library. The features of interest support a Single-Program, Multiple-Data (SPMD) programming model based on executing multiple “images”, each of which is a program instance. The features also support a Partitioned Global Address Space (PGAS) in the form of “coarray” distributed data structures. The paper discusses the lowering of multi-image features to the Parallel Runtime Interface for Fortran (PRIF) and the implementation of PRIF in the Caffeine parallel runtime library. This paper also provides an early view into the design of a new multi-image dialect of the LLVM Multi-Level Intermediate Representation (MLIR). We describe validation and testing of the resulting software stack, and demonstrate that performance compares favorably to another open-source compiler and runtime library: GNU Compiler Collection (GCC) gfortran and OpenCoarrays, respectively.

Bonachea, Dan↗
DOE OSTI2025

Report on Preliminary Detailed Experimental Plan for Neutron Irradiation of A709 at ATR and HFIR

Advanced nuclear power technologies will use higher temperatures as a means to extract energy at a higher efficiency than current plants and therefore put a larger demand on the structural materials. Improved performance of structural materials could enable greater safety margins, longer plant lifetimes, and reduce maintenance costs. Alloy 709 is championed as the next generation of austenitic alloys for advanced nuclear reactors. In parallel to the ASME code case pursued, the AMMT program is initiating a neutron irradiation campaign to provide first-of-a-kind engineering data to establish operational design parameters and how the mechanical response is modified by environmental factors. This document refines the AMMT neutron irradiation campaign to a 4 year program to support the generation of creep knockdown factors for Alloy 709 and welded Alloy 709. The campaign is divided among two national laboratories, Oak Ridge National Laboratory and Idaho National Laboratory, to use the strengths of each laboratory. Through a cooperative plan, time-independent properties and time-dependent properties will be obtained across a large temperature window, nominally 300°C to 800°C, damage levels up to 10 dpa, and with and without the impacts of transmutation produced helium.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2026

Report on Preliminary Detailed Experimental Plan for Neutron Irradiation of A709 at ATR and HFIR

Advanced nuclear power technologies will use higher temperatures as a means to extract energy at a higher efficiency than current plants and therefore put a larger demand on the structural materials. Improved performance of structural materials could enable greater safety margins, longer plant lifetimes, and reduce maintenance costs. Alloy 709 is championed as the next generation of austenitic alloys for advanced nuclear reactors. In parallel to the ASME code case pursued, the AMMT program is initiating a neutron irradiation campaign to provide first-of-a-kind engineering data to establish operational design parameters and how the mechanical response is modified by environmental factors. This document refines the AMMT neutron irradiation campaign to a 4 year program to support the generation of creep knockdown factors for Alloy 709 and welded Alloy 709. The campaign is divided among two national laboratories, Oak Ridge National Laboratory and Idaho National Laboratory, to use the strengths of each laboratory. Through a cooperative plan, time-independent properties and time-dependent properties will be obtained across a large temperature window, nominally 300°C to 800°C, damage levels up to 10 dpa, and with and without the impacts of transmutation produced helium.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Software Control Program For Transportable Microgrid State-of-charge Balancing And Frequency Stability Controls

A deterministic state-of-charge (SOC) balancing approach software control code is introduced as an integral secondary management to primary control layer of an islanded small microgrid or nanogrid system made up of multiple grid-forming inverter/battery/solar combination systems, where each set of batteries with each inverter are on independent DC buses (i.e. non-paralleled on the DC sides). A DERMS-level control approach, algorithm and automation controller program was developed to improve coordination and enable microgrid asset compliance and SOC balancing, enabling provision of a system-level power stability support architecture, load support, and asset scalability. The architecture is configured to treat each unit or micro/nano-grid as a node in a microgrid network, allowing for autonomous DERMS control regarding load and SOC balancing and power stability. As the network grows with the addition of units, greater coordination efforts may be required. The ideal small network microgrid ranges from 2-10 inverter/battery units before additional control parameters must be considered in the existing architecture. The control approach focuses on a deterministic state-of-charge analysis as the primary level control process followed by a secondary control loop using a forced frequency-watt droop strategy to conform off-the-shelf components into behaving under a leader-follower configuration. Adopting this control scheme has been shown to allow for a balanced, unit-coordinated microgrid network, enabling stable power flow. The deterministic state-of-charge approach is introduced as an integral primary control layer of an islanded small network microgrid. A standard strategy for SOC balancing is implementing a battery management system (BMS) to control SOC on the DC side. An alternative approach is to determine how to coordinate sending and receiving power on the AC side with multiple units. The latter approach assesses all the integrated units in the microgrid network. Once the individual units are identified, further system data is required to calculate each unit's total kWh, provided information about its capability to supply or consume kWh and availability. The secondary control layer in the multi-layered small network microgrid methodology uses the primary layer’s decision to initiate frequency setpoint changes, initializing the SOC balancing. The secondary control layer considers numerous system-dependent variables to enable a charging and discharging profile based on adjustable frequency setpoints. The combined architecture will result in stable, coordinated power flow enhancing an AC microgrid's functionalities.

Myers, KurtS [Idaho National Laboratory (INL), Ida↗
DOE OSTI2024

thevenin: An Equivalent Circuit Modeling Package [SWR-24-132]

This package is a wrapper for the well-known Thevenin equivalent circuit model for simulating battery behavior with a focus on ease of use. The model is comprised of a single series resistor followed by any number of parallel RC pairs. The package includes an intuitive "experiment" interface, which simplifies the programming of constant or dynamic current, voltage, and/or power-driven loads, making it ideal for a wide range of applications, from basic tests to complex simulations. It also supports state-of-charge (SOC) and temperature-dependent properties, allowing the model to be more easily calibrated against real cells.

Randall, Corey↗