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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Comparison of steady-state analytical wake models implemented in wind farm analysis software

A common set of mathematical wind turbine wake models are implemented in a few, well-adopted computational tools for wind farm wake modelling. Although the referenced mathematical formulations are common, implementation details may lead to differences in results. This study presents a systematic comparison of the implementation of mathematical wake models in open source, Python-based wind turbine wake modelling software, and a set of the models are directly compared. Despite aligning only the mathematical model parameters and retaining the default computational model parameters, good agreement is found across most of the model implementations, and additional agreement is expected upon further parameters alignment.

17 WIND ENERGY↗
DOE OSTI2024

IRIS-GNN: Leveraging Graph Neural Networks for Scheduling on Truly Heterogeneous Runtime Systems

The diversity of accelerators in computer systems poses significant challenges for software developers, such as managing vendor-specific compiler toolchains, code fragmentation requiring different kernel implementations, and performance portability issues. To address these, the Intelligent Runtime System (IRIS) was developed. IRIS works across various systems, from smartphones to supercomputers, enabling automatic performance scaling based on available accelerators. It introduces abstract tasks for seamless execution transitions between accelerators while ensuring memory consistency and task dependencies. Although IRIS simplifies system details, optimal dynamic scheduling still requires user input to understand workload structures. To address this, we introduce a new scheduling policy for IRIS, termed IRIS-GNN, which is the first IRIS hybrid policy that operates in conjunction with the dynamic policies. This policy employs a Graph-Neural Network (GNN) to conduct Graph Classification of any task graphs submitted to IRIS. This GNN analyzes the structure and attributes of the task graph, categorizing it as either locality, concurrency, or mixed. This classification subsequently guides the selection of the dynamic policy used by IRIS. We provide a comparison of the performance of IRIS-GNN against the complete spectrum of IRIS’s dynamic policies, assess the overhead introduced by the GNN within this scheduling framework, and ultimately explore its practical application in real-world scenarios.

Johnston, Beau↗
DOE OSTI2024

Evaluation of Global Climate Models for Use in Energy Analysis

The interplay between energy, climate, and weather is becoming more complex due to increasing contributions of renewable energy generation, energy storage, electrified end uses, and the increasing frequency of extreme weather events. Energy system analyses commonly rely on meteorological inputs to estimate renewable energy generation and energy demand; however, these inputs rarely represent the estimated impacts of future climate change. Climate models and publicly available climate change datasets can be used for this purpose, but the selection of inputs from the myriad of available models and datasets is a nuanced and subjective process. In this work, we assess datasets from various global climate models (GCMs) from the Coupled Model Intercomparison Project Phase 6 (CMIP6). We present evaluations of their skills with respect to the historical climate and comparisons of their future projections of climate change for two climate change scenarios. We present the results for different climatic and energy system regions and include interactive figures in the accompanying software repository. Previous work has presented similar GCM evaluations, but none have presented variables and metrics specifically intended for comprehensive energy systems analysis including impacts on energy demand, thermal cooling, hydropower, water availability, solar energy generation, and wind energy generation. We focus on GCM output meteorological variables that directly affect these energy system components including the representation of extreme values that can drive grid resilience events. The objective of this work is not to recommend the best climate model and dataset for a given analysis, but instead to provide a reference to facilitate the selection of climate models and scenarios in subsequent work.

14 SOLAR ENERGY↗
DOE OSTI2026

Rasterization with Data-Parallel Primitives

Parallel rasterization can suffer from race conditions during fragment generation, which is traditionally addressed by using specialized hardware accessible via vendor graphics APIs. Unfortunately, graphics APIs are increasingly problematic on high-performance computers, either because they are not provided or because of concerns about dependencies with in situ visualization. In response, we present a hardware-agnostic rasterization algorithm that handles race conditions using only data-parallel primitives (DPPs), enabling efficient rendering on HPC systems without graphics API dependencies and aligning with recent efforts to deliver visualization software with DPPs. Our evaluation consists of three phases: (1) evaluating portability across different CPU and GPU architectures, (2) evaluating competitiveness with a community standard, and (3) evaluating performance across varying workloads and available parallelism. The supporting experiments run on both AMD and NVIDIA GPUs, considering data sets as large as 460 million triangles and 160 million pixels. While performance generally falls short of graphics API baselines, it achieves interactive frame rates on most workloads. As a result, we conclude our approach is a viable solution for rasterization on high-performance computers since our approach is portably performant across different architectures without the need for specialized vendor support.

Buckley, Makani [University of Oregon] (ORCID:0009↗
DOE OSTI2024

Assessment and Coordination of EVSE Cybersecurity Standards

Cybersecurity certification programs for Electric Vehicle Supply Equipment (EVSE) are fragmented due to no single certification covering all aspects of the device and additionally the existence of multiple programs and under different levels of regulation. These devices are also confronted by the intricate assembly of product software, firmware, and hardware. Devices contain both logical and physical interfaces. These multifaceted devices have vulnerabilities at many levels and interconnect with other potentially vulnerable systems including the electric vehicle, the cloud where data and payment information are stored, and the electric grid and electric grid equipment including utilities. Of the EVSE certification programs that are found, none are directly for the cybersecurity of EVSE. Many standards are for safety, specifically battery safety, some are cybersecurity standards for other types of equipment and can be modeled for EVSE. In specific, ISA/IEC 62443 is found to be significantly in line with EVSE security needs and will be used in future testing to certify EVSE and help guide the project to demonstrate where gaps exist, where strengths lie in the standard and how this can be used to lead the certification efforts in harmonizing EVSE cybersecurity standards. In addition, there are multiple efforts that are currently seeking to build EVSE standards or revise existing standards to address gaps. This effort is seeking to establish a cybersecurity program for EVSE that will inform customers and help increase the level of security across products and state EVSE procurements to achieve consistency across different jurisdictions.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

MolSym : A Python package for handling symmetry in molecular quantum chemistry

A consideration of the point group symmetry of molecules is often advantageous from a computational efficiency standpoint and sometimes necessary for the correct treatment of chemical physics problems. Many modern electronic structure software packages include a treatment of symmetry, but these are sometimes incomplete or unusable outside of that program’s environment. Therefore, we have developed the MolSym package for handling molecular symmetry and its associated functionalities to provide a platform for including symmetry in the implementation and development of other methods. Features include point group detection, molecule symmetrization, arbitrary generation of symmetry element sets and character tables, and symmetry adapted linear combinations of real spherical harmonic basis functions, Cartesian displacement coordinates, and internal coordinates. We present some of the advantages of using molecular symmetry as achieved by MolSym, particularly with respect to Hartree–Fock theory, and the reduction of finite difference displacements in gradient/Hessian computations. Furthermore, this package is designed to be easily integrated into other software development efforts and may be extended to further symmetry applications.

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

RolyPoly (rp) v0.1.0

The Rolypoly pipeline is designed to process raw RNA-seq data and identify potential RNA viral sequences. It is split into several self contained steps: 1. input data filtering and QC, 2. Genome assembly and refinement, 3. Assembly filtering, 4. Mapping to known RNA viral genomes, 5. Searching for RNA viral marker genes. 6. Genome functional and structural annotation. 6. Report preparation and potential downstream analysis The last module, may include taxonomic assignment, host range estimation, and phenotypic prediction. There are many similar software, but they focus on human related viruses, and lack the downstream applications or differ in their sensitivity. The initial user base are non-computational microbial ecologists who wish to better understand the potential RNA viruses in their own generated samples.

Neri, Uri↗
DOE OSTI2026

Equivalent Point Sources for Simulating Nuclear/Radiological Search Operations

Modeling and simulation can be used to estimate the detection of different types and strengths of radioactive sources. Simulations of shielded gamma-ray sources in complex environments, such as searches in urban areas using vehicle-mounted detectors, can demonstrate what source strengths and shielding combinations should be able to be detected. For faster calculations, gamma-emitting sources that could have different shielding layers can be simulated ahead of time, resulting in equivalent point source emission distributions that can be used in larger simulation models. Larger-scale models will then run faster using equivalent point sources because the shielding layers around the sources have already been accounted for. Accompanying this paper are 260 equivalent point source emission files for 72 sources with different shielding layers, formatted for three different Monte Carlo codes. Users wanting to request versions of the SCALE and/or MCNP software can find details here: https://rsicc.ornl.gov/

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Neuromorphic intermediate representation: A unified instruction set for interoperable brain-inspired computing

Abstract Spiking neural networks and neuromorphic hardware platforms that simulate neuronal dynamics are getting wide attention and are being applied to many relevant problems using Machine Learning. Despite a well-established mathematical foundation for neural dynamics, there exists numerous software and hardware solutions and stacks whose variability makes it difficult to reproduce findings. Here, we establish a common reference frame for computations in digital neuromorphic systems, titled Neuromorphic Intermediate Representation (NIR). NIR defines a set of computational and composable model primitives as hybrid systems combining continuous-time dynamics and discrete events. By abstracting away assumptions around discretization and hardware constraints, NIR faithfully captures the computational model, while bridging differences between the evaluated implementation and the underlying mathematical formalism. NIR supports an unprecedented number of neuromorphic systems, which we demonstrate by reproducing three spiking neural network models of different complexity across 7 neuromorphic simulators and 4 digital hardware platforms. NIR decouples the development of neuromorphic hardware and software, enabling interoperability between platforms and improving accessibility to multiple neuromorphic technologies. We believe that NIR is a key next step in brain-inspired hardware-software co-evolution, enabling research towards the implementation of energy efficient computational principles of nervous systems. NIR is available atneuroir.org

Science & Technology - Other Topics↗
DOE OSTI2024

Modeling the Enceladus dust plume based on in situ measurements performed with the Cassini Cosmic Dust Analyzer

We analyzed data recorded by the Cosmic Dust Analyzer on board the Cassini spacecraft during Enceladus dust plume traversals. Our focus was on profiles of relative abundances of grains of different compositional types derived from mass spectra recorded with the Dust Analyzer subsystem during the Cassini flybys E5 and E17. The E5 profile, corresponding to a steep and fast traversal of the plume, has already been analyzed. In this paper, we included a second profile from the E17 flyby involving a nearly horizontal traversal of the south polar terrain at a significantly lower velocity. Additionally, we incorporated dust detection rates from the High Rate Detector subsystem during flybys E7 and E21. We derived grain size ranges in the different observational data sets and used these data to constrain parameters for a new dust plume model. This model was constructed using a mathematical description of dust ejection implemented in the software package DUDI. Further constraints included published velocities of gas ejection, positions of gas and dust jets, and the mass production rate of the plume. Our model employs two different types of sources: diffuse sources of dust ejected with a lower velocity and jets with a faster and more colimated emission. From our model, we derived dust mass production rates for different compositional grain types, amounting to at least 28 kg s –1 . Previously, salt-rich dust was believed to dominate the plume mass based on E5 data alone. The E17 profile shows a dominance of organic-enriched grains over the south polar terrain, a region not well constrained by E5 data. By including both E5 and E17 profiles, we find the salt-rich dust contribution to be at most 1% by mass. This revision also results from an improved understanding of grain masses of various compositional types that implies smaller sizes for salt-rich grains. Our new model can predict grain numbers and masses for future mission detectors during plume traversals.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The MCNP ® 6 code: A decade of progress

After several years of effort involved in merging the Los Alamos National Laboratory MCNP5 and MCNPX codes, in 2013 the first production release of version 6 of the Monte Carlo N-Particle ® , or MCNP ® , code MCNP6.1 was distributed publicly. Since then, three significant releases have been issued: MCNP6.1.1beta in 2014, MCNP6.2 in 2018, and MCNP6.3 in 2023. While each release always contains new features, code enhancements, and bug fixes, each version has had a different primary focus, ranging from improved calculational efficiency to new powerful utilities and tools, to software modernization of the code base. With all that has been learned over the first decade of the MCNP6 code, continuous progress is being made toward a modernized, general-purpose Monte Carlo radiation transport code that remains a trusted resource for the global community of practitioners. This paper describes these first 10+ years of the MCNP6 code and its continually improving data libraries, and gives some insight into how the next decade is expected to unfold.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Integration of Waveform Simulation Methods

The generation of synthetic seismograms through simulation is a fundamental tool of seismology required to run quantitative hypothesis tests. A variety of approaches have been developed throughout the seismological community and each has their own specific user interface based on their implementation. This causes a challenge to researchers who will need to learn new interfaces with each new software they wish to use and create substantial challenges when attempting to compare results from different tools. Here we provide a unified interface that facilitates interoperability amongst several simulation tools through a modern containerized Python package. Further, this package includes post-processing analysis modules designed to facilitate end-to-end analysis of synthetic seismograms. In this report we present the conceptual guidance and an example implementation of the new Waveform Simulation Framework.

58 GEOSCIENCES↗
DOE OSTI2024

Time-Dependent Failure Assessment of Ceramic Receivers

The outlet temperature targets for Gen 3 Concentrating Solar Power (CSP) systems pose a significant challenge to the structural reliability of high temperature metallic components, including those manufactured from nickel-based superalloys. Advanced ceramics present a potential solution due to their excellent high-temperature strength. However, accurate assessment of ceramic components requires an entirely different approach compared to metallic components. This paper describes the implementation of time-dependent reliability analysis of ceramic components in srlife – an open-source software package for estimating the life of high temperature CSP components. This new capability will allow high temperature CSP designers to make fair comparisons between competing metallic and ceramic designs and accurately assess the performance of different ceramic materials for CSP receivers and other components. The current version of the tool is available at https://github.com/Argonne-National-Laboratory/srlife.

Barua, Bipul (ORCID:0000000247184113)↗
DOE OSTI2022

Lithium-Ion Battery Design for Grid-Scale Energy Storage App

A software that delivers parameters from energy storage system (ESS) to container, rack, module and single cell design, as well as data analysis on arbitrage energy and frequency regulation of ESS in different regions, has been developed. The Lithium-ion Battery Design for Grid-scale Energy Storage App V1.0 has the capability to output the system, module and cell design with the energy, power, capacity, group method, cost of single cell, and single cell test protocol which break down from input energy storage system data in different regions. The default chemistry of the battery is LiFePO4 and graphite. The energy density of the graphite/LiFePO 4 pouch cell ranges from 100 Wh/kg to 200 Wh/Kg in the software. Graphite/LiFePO 4 pouch cell (up to 1Ah in lab) manufacturing line is also built and can be used to evaluate the test protocol, moreover, for electrolyte evaluation in other ESMI seedling projects. The software enables rapid prototyping to accelerate energy storage research, development, and manufacturing.

Liu, Dianying [Pacific Northwest National Laborato↗
DOE OSTI2025

Flexible and Effective Object Tiering for Heterogeneous Memory Systems

Computing platforms that package multiple types of memory, each with their own performance characteristics, are quickly becoming mainstream. To operate efficiently, heterogeneous memory architectures require new data management solutions that are able to match the needs of each application with an appropriate type of memory. As the primary generators of memory usage, applications create a great deal of information that can be useful for guiding memory management, but the community still lacks tools to collect, organize, and leverage this information effectively. To address this gap, this work introduces a novel software framework that collects and analyzes object-level information to guide memory tiering. The framework includes tools to monitor the capacity and usage of individual data objects, routines that aggregate and convert this information into tier recommendations for the host platform, and mechanisms to enforce these recommendations according to user-selected policies. Moreover, the developed tools and techniques are fully automatic, work on standard Linux systems, and do not require modification or recompilation of existing software. Using this framework, this study evaluates and compares the impact of a variety of design choices for memory tiering, including different policies for prioritizing objects for the fast memory tier as well as the frequency and timing of migration events. In conclusion, the results, collected on a modern Intel platform with conventional DDR4 SDRAM as well as Intel Optane NVRAM, show that guiding data tiering with object-level information can enable significant performance and efficiency benefits compared with standard hardware- and software-directed data-tiering strategies for a diverse set of memory-intensive workloads.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

Vedizar Fingerprinter

SAND2025-03289O Vedizar Fingerprinter simplifies the process of identifying devices on a network by analyzing traffic data. It uses a unique library to recognize different devices, making it easier for users to understand what is happening on their networks. This software is ideal for IT and operational technology environments, helping organizations monitor their networks effectively. By saving results in a database, it allows for easy access and review of device information. Users can enhance their network security and optimize performance without needing specialized hardware or technical expertise. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Jacobellis, John [Sandia National Lab. (SNL-CA), L↗
DOE OSTI2025

ERF: Energy Research and Forecasting Model

High performance computing (HPC) architectures have undergone rapid development in recent years. As a result, established software suites face an ever increasing challenge to remain performant on and portable across modern systems. Many of the widely adopted atmospheric modeling codes cannot fully (or in some cases, at all) leverage the acceleration provided by General-Purpose Graphics Processing Units, leaving users of those codes constrained to increasingly limited HPC resources. Energy Research and Forecasting (ERF) is a regional atmospheric modeling code that leverages the latest HPC architectures, whether composed of only Central Processing Units (CPUs) or incorporating GPUs. ERF contains many of the standard discretizations and basic features needed to model general atmospheric dynamics. The modular design of ERF provides a flexible platform for exploring different physics parameterizations and numerical strategies. ERF is built on a state-of-the-art, well-supported, software framework (AMReX) that provides a performance portable interface and ensures ERF's long-term sustainability on next generation computing systems. This paper details the numerical methodology of ERF, presents results for a series of verification/validation cases, and documents ERF's performance on current HPC systems. The roughly 5× speed up of ERF (using GPUs) over Weather Research and Forecasting (CPUs only) for a 3D squall line test case highlights the significance of leveraging GPU acceleration.

17 WIND ENERGY↗
DOE OSTI2025

The Psyche Gamma-Ray and Neutron Spectrometer

A Gamma-Ray and Neutron Spectrometer (GRNS) instrument has been developed as part of the science payload for NASA’s Discovery Program Psyche mission to the M-class asteroid (16) Psyche. The GRNS instrument is designed to measure the elemental composition of Psyche with the goal to understand the origin of this mysterious, potentially metal-rich planetary body. The GRNS will measure the near-surface abundances for the elements Ni, Fe, Si, K, S, Al, and Ca, as well as the spatial distribution of Psyche’s metal-to-silicate fraction (or metal fraction). These measurements address three of the five Psyche mission science objectives: determine if Psyche is a core; determine whether small metal bodies incorporate light elements into the metal phase; and determine whether Psyche was formed under reducing conditions. The Gamma-Ray Spectrometer (GRS) uses a cryocooled, high-purity Ge (HPGe) sensor to detect cosmic-ray generated gamma rays in the 60 to 9000-keV energy range. The HPGe sensor is surrounded by a borated plastic anticoincidence shield that provides three functions: active background rejection from charged particle interactions in the HPGe sensor; fast neutron measurements; and direct measurements of the incident galactic cosmic ray flux. The Neutron Spectrometer (NS) uses three 3 He gas proportional sensors, each with different material wraps to measure thermal (<0.4 eV), low-energy epithermal (0.4 eV to 1 keV), and high-energy epithermal (up to 100 keV) neutrons. This paper provides an overview of the Psyche GRNS, including: its science and measurement objectives; the design of the instrument hardware, software, and operation; pre-launch performance measurements and its initial performance in space; and an overview of its data products and expected operation for different Psyche mission phases.

Engineering - Instrumentation related to nuclear s↗