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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 1,243 records · Page 69
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Scalable Reasoning System (SRS)

SRS is a web-based and mobile toolkit for information visualization and collaboration. It includes server-side components in the form of web services that provide analytical functions such as data clustering and temporal analysis. The SRS client is accessed via a web browser and uses asynchronous javascript and XML (AJAX) to interact with and visualize the results of these web services. Users of SRS can query data sources that are connected to the SRS backend, and query results are presented in the form of coordinated visual displays in a web browser that depict temporal, topical, and spatial relationships in the results. SRS also includes an early stage graphical reasoning diagram interface that helps analysts express and test hypotheses. This software was developed with funding from the Science and Technology Directorate of the U.S. Department of Homeland Security.

Pike, William↗
DOE OSTI2023

ExoToComsol v.0.1

SAND2024-08641O ExoToComsol models capability-sharing. For example, the software can develop a multiphysics modeling chain using physics modeling capabilities from different research institutions using either SIERRA or COMSOL. The converter program allows exporting user-defined, region-of-interest from a large FE model, which results in a finer mesh of the submodel that can be used for subsequent analysis. 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.

Rahman, Farhan↗
DOE OSTI2025

pnnl-predictive-phenomics/SElon-GEM

The software was developed to solve the problem of continuous validation for genome-scale model of S. elongatus. The origin of the work was due to the difficulty of curating genome-scale metabolic models, and memote was invented to solve this problem.

Pino, James [Pacific Northwest National Laboratory↗
DOE OSTI2025

Code Release for “Unlocking Extreme Space Weather through Advanced Modeling of Legacy Vela Spacecraft” ER

The software being developed for this project has two mains aims. First, a Bayesian Model Calibration (BMC) procedure is being developed to calibrate a spallation model that simulates protons hitting a spacecraft orbiting earth to real data. The procedure will be developed for general data (there is no data release requested as part of this code release). Second, an inverse physics modeling task is being undertaken to map the number of resulting neutrons observed from this process to the expected number of protons that hit the model. This second task is of statistical interest; to publish on it, the code will need to be open source.

Murph, Alexander↗
DOE OSTI2024

Simple Battery Hazard Calculator

SAND2025-00455O Simple Battery Hazard Calculator is a software tool developed in Excel to analyze the electrical hazards of battery systems and determine the required personal protective equipment (PPE) for safe assembly and disassembly. It calculates potential arc flash incident energy, contact thermal hazard level, and recommends PPE based on parameters such as voltage, short circuit current, and over current protection trip time. The calculator uses a recognized method for calculating arc flash incident energy, which was previously inaccessible to most battery workers. 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.

Rosewater, David↗
DOE OSTI2024

ARCADE (Advanced Reactor Cyber Analysis and Development Environment)

SAND2025-11780O ARCADE (Advanced Reactor Cyber Analysis and Development Environment) software performs cybersecurity experiments on Defensive Cyber Security Architectures (DCSA) for Distributed Control Systems (DCSs). The application is integrated into a cohesive environment that performs cyber risk analyses and reduces costs. ARCADE can investigate the entire cyber-attack surface of a DCS from the physics of control, down to the firmware of individual components with automated efficiency. ARCADE has five major functional components: the Data Broker system, the virtualization environment, the cyber-attack simulator, the cyber-physical analysis system, and the physics simulator. 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.

Valme, Romuald↗
DOE OSTI2025

MCCCS-MN

The MCCCS‒MN (Monte Carlo for Complex Chemical Systems‒Minnesota) software is developed by the Siepmann research group at the University of Minnesota. MCCCS‒MN allows for the simulation of multi-component molecular systems in the canonical, isobaric-isothermal (including constant stress for solids), grand-canonical, semi-grand, and Gibbs (NVT, NPT, and more than two simulation boxes) ensembles. It uses the configurational-bias Monte Carlo method to efficiently sample phase space for linear, branched and cyclic chain molecules, the adiabatic nuclear and electronic sampling Monte Carlo method to treat many-body polarization effects, and the aggregation-volume-bias Monte Carlo algorithm to efficiently sample the spatial distribution of associating molecules. MCCCS-MN employs a molecular representation of the system where force fields contain bonded and non-bonded terms. Funding for the development of MCCCS-MN through grants from the National Science Foundation (simulation of fluid phase equilibria and chromatography) and the Department of Energy (simulation of adsorption equilibria) is gratefully acknowledged.

Siepmann, J.Ilja [University of Minnesota - Twin C↗
DOE OSTI2025

Synapse v1.0

Synapse (SYNergistic software platform for AI, Physics Simulations, and Experiments) is a software package meant to deploy real-time guidance from simulations during experimental campaigns, The software package contains functionalities to collect data from simulations (e.g. running at NERSC) and experiments (e.g. from the BELLA facility at LBNL) into a database, train ML surrogate models from this data, and display the predictions of the surrogate model in the control room of an experimental facility, so as to guide on-going experimental campaign. This software was developed as part of an on-going LDRD.

Lehe, Remi [Lawrence Berkeley National Laboratory ↗
DOE OSTI2026

LBNL_DIATOMICS v1

LBNL_DIATOMICS is a software package developed by P. Zarzycki (Lawrence Berkeley National Laboratory) for computing isotopic effects in diatomic molecules using mass-dependent spectroscopic parameters obtained experimentally or from first principles. The package provides a streamlined pipeline from the potential energy surface to the equilibrium constant of an isotopic exchange reaction.

Zarzycki, Piotr [Lawrence Berkeley National Labora↗
DOE OSTI2023

Layer-wise Imaging Dataset from Powder Bed Additive Manufacturing Processes for Machine Learning Applications (Peregrine v2021-03)

This dataset contains layer-wise powder bed images from three different powder bed printing technologies – laser powder bed fusion, electron beam powder bed fusion, and binder jetting. This dataset was collected and annotated using the internally-developed Peregrine software tool and is designed primarily to facilitate research into anomaly defect detection using image segmentation or similar techniques. A total of 20 layers are provided for each printing technology, with each layer of data consisting of one or more calibrated images and an annotation file containing pixel-wise ground truth labels. The ground truths were labeled by domain experts, typically printer technicians. Data in this release were collected at Oak Ridge National Laboratory between 2016 and 2020 and were compiled in March 2021.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Nuclear forensics of a non-traditional sample: Neptunium

Recent nuclear forensics cases have focused primarily on plutonium (Pu) and uranium (U) materials. By definition however, nuclear forensics can apply to any diverted nuclear material. This includes neptunium (Np), an internationally safeguarded material like Pu and U, that could offer a nuclear security concern if significant quantities were found outside of regulatory control. This case study couples scanning electron microscopy (SEM) with quantitative analysis using newly developed specialized software, to evaluate a non-traditional nuclear forensic sample of Np. Here, the results of the morphological analyses were compared with another Np sample of known pedigree, as well as other traditional actinide materials in order to determine potential processing and point-of-origin.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Preventing Run-Time Bugs at Compile-Time Using Advanced C++

When writing software, we develop algorithms that tell the computer what to do at run-time. Our solutions are easier to understand and debug when they are properly modeled using class hierarchies, enumerations, and a well-factored API. Unfortunately, even with these design tools, we end up having to debug our programs at run-time. Worse still, debugging an embedded system changes its dynamics, making it tough to find and fix concurrency issues. This paper describes techniques using C++ to detect run-time bugs *at compile time*. A concurrency library, developed at Fermilab, is used for examples in illustrating these techniques.

43 PARTICLE ACCELERATORS↗
DOE OSTI2023

Curifactory: A research experiment manager

Curifactory is a command line tool and framework for organizing Python experiment code, configuration parameters, and results. It is an opinionated and lightweight approach to workflow management infrastructure and is primarily intended to support researchers conducting experiments on one machine. This software was developed to support the reproducibility of results for several data science projects in the Nuclear Nonproliferation Division at Oak Ridge National Laboratory. Curifactory is intended to be a general framework and is not specific to machine learning or data science. It can aid in any field in which experiments are primarily computation-based studies and can be implemented in Python (e.g., high-energy physics, astronomy, computational chemistry). Here, the design emphasizes the automated caching of intermediate data analysis artifacts to speed up development involving computationally intensive tasks. It also allows for data provenance and experiment reproduction. Individual experiment runs are tracked through logs and their output reports, and entire copies of a run with all cached data and metadata can be exported for others to run using Curifactory on another machine. Curifactory experiments can either be integrated into a project from the beginning or can be written on top of an existing codebase without needing significant modification. A few important views of the Curifactory library can be seen in Figure 1.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

TDEP: Temperature Dependent Effective Potentials

The Temperature Dependent Effective Potential (TDEP) method is a versatile and efficient approach to include temperature in ab initio materials simulations based on phonon theory. TDEP can be used to describe thermodynamic properties in classical and quantum ensembles, and several response properties ranging from thermal transport to Neutron and Raman spectroscopy. A stable and fast reference implementation is given in the software package of the same name described here. The underlying theoretical framework and foundation is briefly sketched with an emphasis on discerning the conceptual difference between bare and effective phonon theory, in both self-consistent and non-self-consistent formulations. References to numerous applications and more in-depth discussions of the theory are given.

36 MATERIALS SCIENCE↗
DOE OSTI2025

pyTCR: A tropical cyclone rainfall model for python

pyTCR is a climatology software package developed in the Python programming language. It integrates the capabilities of several legacy physical models and increases computational efficiency to allow rapid estimation of tropical cyclone (TC) rainfall consistent with the large-scale environment. Specifically, pyTCR implements a horizontally distributed and vertically integrated model [Zhu et al., 2013] for simulating rainfall driven by TCs. Along storm tracks, rainfall is estimated by computing the cross-boundary-layer, upward water vapor transport caused by different mechanisms including frictional convergence, vortex stretching, large-scale baroclinic effect (i.e., wind shear), topographic forcing, and radiative cooling [Lu et al., 2018]. The package provides essential functionalities for modeling and interpreting spatio-temporal TC rainfall data. pyTCR requires a limited number of model input parameters, making it a convenient and useful tool for analyzing rainfall mechanisms driven by TCs. To sample rare (most intense) rainfall events that are often of great societal interest, pyTCR adapts and leverages outputs from a statistical-dynamical TC downscaling model [Lin et al., 2023] capable of rapidly generating a large number of synthetic TCs given a certain climate. As a result, pyTCR significantly reduces computational effort and improves the efficiency in capturing extreme TC rainfall events at the tail of the distributions from limited datasets. Furthermore, the TC downscaling model is forced entirely by large-scale environmental conditions from reanalysis data or coupled General Circulation Models (GCMs), simplifying the projection of TC-induced rainfall and wind speed under future climate using pyTCR. Finally, pyTCR can be coupled with hydrological and wind models to assess risks associated with independent and compound events (e.g., storm surges and freshwater flooding).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

In-Line Crack and Stress Detection in Silicon Solar Cells Using Resonance Ultrasonic Vibrations

The Phase II project has the following specific tasks: (i) specify optimal configurations of the in-line system's component hardware and software; (ii) develop and justify a system prototype that meets major specifications for an in-line crack detection unit, such as high throughput rate, high level of stability, reproducibility of data acquisition and analysis, and high sensitivity with respect to crack length and crack location; (iii) design a system platform that allows easy integration within and adaptation to various solar cell belt-type production lines; (iv) develop a testing protocol providing quality certification of the production-grade system. Commercial Application of the proposed activity consists of bringing to the solar market a new high-tech product based on an innovative solution and patented methodology to contribute to cost reduction of silicon solar module production. The solar industry, with crystalline silicon as a dominant segment, shows outstanding performance, with approximately 25% yearly growth during the last years. Despite a slowdown with only 5.6 GW installations in 2009, solar module production for the 2010 and 2011 years was recovered. According to European Photonics Industry Consortium new solar PV installations grow by 56% compared to 2010 reached 64.7 GW in 2011. Revenues in the PV industry reached a record high of $93 billion in 2011, a 13.4 percent gain over 2010 and 150 percent over 2009. This growth was forecasted to continue in 2013 with double digits growth. The solar industry is economically driven to make solar panels of the highest conversion efficiency and reliability at the lowest production cost. The Resonance Ultrasonic Vibration system addresses critical needs of the silicon-based solar industry by providing a quality control method and tool, which will improve productivity, increase reliability of products and reduce manufacturing cost of solar panels.

14 SOLAR ENERGY↗
DOE OSTI2013

North Pacific Mesoscale Coupled Air-Ocean Simulations Compared with Observations

Executive summary The main objective of the study was to investigate atmospheric and ocean interaction processes in the western Pacific and, in particular, effects of significant ocean heat loss in the Kuroshio and Kuroshio Extension regions on the lower and upper atmosphere. It is yet to be determined how significant are these processes are on climate scales. The understanding of these processes led us also to development of the methodology of coupling the Weather and Research Forecasting model with the Parallel Ocean Program model for western Pacific regional weather and climate simulations. We tested NCAR-developed research software Coupler 7 for coupling of the WRF and POP models and assessed its usability for regional-scale applications. We completed test simulations using the Coupler 7 framework, but implemented a standard WRF model code with options for both one- and two-way mode coupling. This type of coupling will allow us to seamlessly incorporate new WRF updates and versions in the future. We also performed a long-term WRF simulation (15 years) covering the entire North Pacific as well as high-resolution simulations of a case study which included extreme ocean heat losses in the Kuroshio and Kuroshio Extension regions. Since the extreme ocean heat loss occurs during winter cold air outbreaks (CAO), we simulated and analyzed a case study of a severe CAO event in January 2000 in detail. We found that the ocean heat loss induced by CAOs is amplified by additional advection from mesocyclones forming on the southern part of the Japan Sea. Large scale synoptic patterns with anomalously strong anticyclone over Siberia and Mongolia, deep Aleutian Low, and the Pacific subtropical ridge are a crucial setup for the CAO. It was found that the onset of the CAO is related to the breaking of atmospheric Rossby waves and vertical transport of vorticity that facilitates meridional advection. The study also indicates that intrinsic parameterization of the surface fluxes within the WRF model needs more evaluation and analysis.

54 ENVIRONMENTAL SCIENCES↗