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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

ROS Hexapod

As an intern project for NASA Johnson Space Center (JSC), my job was to familiarize myself and operate a Robotics Operating System (ROS). The project outcome will convert existing software assets into ROS using nodes, enabling a robotic Hexapod to communicate and to be functional and controlled by an existing PlayStation 3 (PS3) controller. Existing control algorithms and current libraries have no ROS capabilities within the Hexapod C++ source code. Conversion of C++ codes to ROS will enable existing code to be compatible with ROS, and will be controlled using existing PS3 controller. Furthermore, my job description is to design ROS messages and script programs which will enable assets to participate in the ROS ecosystem. In addition, an open source software (IDE) Arduino board will be integrated in the ecosystem with designing circuitry on a breadboard to add additional behavior with push buttons, potentiometers and other simple elements in the electrical circuitry. Other projects with the Arduino will be a GPS module digital clock that will run off 22 satellites to show accurate real time using a GPS signal and internal patch antenna to communicate with satellites.

Davis, Kirsch↗
NASA NTRS2018

Using the cFS Command and Data Dictionary (CCDD) to Automate Software Development on Habulous

Final paper is attached. The NASA developed Core Flight System (cFS) is a reusable software architecture that has been used on multiple spaceflight missions. By using this framework, missions are able to reuse code from other missions, as well as leverage deployment onto similar computer architectures (i.e. not "reinvent the wheel" on each new mission). The success in the cFS concept can be seen in the large number of projects using cFS at FSW-2018. The Habulous project is an Earth-based testbed, used for hardware and software that may one day be used on a future space habitat unit, with many participating groups from various NASA centers and aerospace organizations around the country. The distributed nature of the various teams mean that defining (and following) an interface definition is critical on the project. Additionally, since various groups use various types of computer hardware (32/64-bit, big/little endian, Linux/VxWorks/Windows) many additional complications exist in interfacing all the various components into a final integrated system. cFS is used on the majority the flight software (FSW) in running in Habulous. But some subsystems have elected to not use cFS, and use a software bridge (called SBN_lib) to interact with the other cFS nodes in Habulous. In order to most efficiently develop the FSW, a central database is used to define and store each message sent by cFS. A Command and Data Dictionary (CDD) is something nearly universal on spacecraft, but as a team we worked to develop the CDD before the SW development was complete, and not treat it like "as built" documentation. To manage the CDD, the cFS Command and Data Dictionary (CCDD) tool was chosen (available from NASA as open source software). The CCDD tool has successfully been used to automate/autocode a large amount of software used on Habulous, as we are hoping to use it to define even more items in the future (time-triggered Ethernet (TTE) network maps, CPU scheduling). Additionally, Habulous has been exploring the use of cFS on wildly heterogeneous CPUs, and how to coordinate all those various machines using/extending the software bus – network (SBN) application in cFS, as well as TTE to coordinate message passing between various synchronized machines. The major topics to be covered in the presentation are: (1) Updating to the CCSDS_v2 extended headers (and using CPU# as subsystem ID). (2) Managing all the message identification numbers for each cFS message sent/received on any of the various CPUs. (3) Using the CCDD information to automatically generate the C-header files that define the structure for all software bus (SB) commands/telemetry messages. (4) Using the CCDD to automatically generate XML Telemetry and Command Exchange (XTCE) files, which streams display production/integration/testing in a web based display architecture (5) Extending/customizing SBN to pass messages among computers on multiple networks. (6) Using "Protobetter" inside SBN to manage different endian-ness/architectures. (7) Using SBN_lib to allow non-cFS node to communicate with cFS nodes. (8) Developing TTE network and schedule tables for all the various CPUs to use.

Hirsh, Robert L.↗
NASA NTRS2017

Medical Data Architecture Capabilities and Design

Mission constraints will challenge the delivery of medical care on a long-term, deep space explorationmission. This type of mission will be restricted in the availability of medical knowledge, skills, procedures and resourcesto prevent, diagnose, and treat in-flight medical events. Challenges to providing medical care are anticipated, includingresource and resupply constraints, delayed communications and no ability for medical evacuation. The Medical DataArchitecture (MDA) project will enable medical care capability in this constrained environment.The first version of thesystem, called Test Bed 1, includes capabilities for automated data collection, data storage and data retrieval to provideinformation to the Crew Medical Officer (CMO). Test Bed 1 seeks to establish a data architecture foundation and developa scalable data management system through modular design and standardized interfaces. In addition, it will demonstrateto stakeholders the potential for an improved, automated, flow of data to and from the medical system over the currentmethods employed on the International Space Station (ISS). It integrates a set of external devices, software andprocesses, and a Subjective, Objective, Assessment, and Plan (SOAP) note commonly used by clinicians. Medical datalike electrocardiogram plots, heart rate, skin temperature, respiration rate, medications taken, and more are collectedfrom devices and stored in the Electronic Medical Records (EMR) system, and reported to crew and clinician. Devicesintegrated include the Astroskin biosensor vest and IMED CARDIAX electrocardiogram (ECG) device with INEED MDECG Glove, and the NASA-developed Medical Dose Tracker application.The system is designed to be operated as astandalone system, and can be deployed in a variety of environments, from a laptop to a data center. The system isprimarily composed of open-source software tools, and is designed to be modular, so new capabilities can be added. Thesoftware components and integration methods will be discussed.

Exploration medical system↗
NASA NTRS2017

Medical Data Architecture Project Capabilities and Design

Mission constraints will challenge the delivery of medical care on a long-term, deep space exploration mission. This type of mission will be restricted in the availability of medical knowledge, skills, procedures and resources to prevent, diagnose, and treat in-flight medical events. Challenges to providing medical care are anticipated, including resource and resupply constraints, delayed communications and no ability for medical evacuation. The Medical Data Architecture (MDA) project will enable medical care capability in this constrained environment. The first version of the system, called "Test Bed 1," includes capabilities for automated data collection, data storage and data retrieval to provide information to the Crew Medical Officer (CMO). Test Bed 1 seeks to establish a data architecture foundation and develop a scalable data management system through modular design and standardized interfaces. In addition, it will demonstrate to stakeholders the potential for an improved, automated, flow of data to and from the medical system over the current methods employed on the International Space Station (ISS). It integrates a set of external devices, software and processes, and a Subjective, Objective, Assessment, and Plan (SOAP) note commonly used by clinicians. Medical data like electrocardiogram plots, heart rate, skin temperature, respiration rate, medications taken, and more are collected from devices and stored in the Electronic Medical Records (EMR) system, and reported to crew and clinician. Devices integrated include the Astroskin biosensor vest and IMED CARDIAX electrocardiogram (ECG) device with INEED MD ECG Glove, and the NASA-developed Medical Dose Tracker application. The system is designed to be operated as a standalone system, and can be deployed in a variety of environments, from a laptop to a data center. The system is primarily composed of open-source software tools, and is designed to be modular, so new capabilities can be added. The software components and integration methods will be discussed.

Data architecture↗
NASA NTRS2019

Overview of the PLEXIL Plan Execution Technology and its Applications in Autonomous Piloting Projects at NASA

Automated planning is a key Artificial Intelligence technology enabling Unmanned Aerial Systems (UAS) and the eminent reality of Urban Air Mobility (UAM). It produces plans, which formalize procedures often performed by humans. Plans differ from other kinds of computer programs in their ability to react and interact with a dynamically changing environment. Aviation plans must encode the procedural knowledge, reasoning capability, and capacity for multi-tasking held by competent human pilots. Correct execution of these plans (performed by software called an executive) in the dynamic airspace environment is vital to the success of each automated flight, and the safety of the vehicle and all things in its path. In the early 2000s NASA developed a plan representation language and executive called PLEXIL (Plan Execution Interchange Language) that has successfully been applied in several NASA aviation and UAS projects. Autonomy Operating System (AOS), Cockpit Hierarchical Automated Planning and Execution (CHAP-E), and ICAROUS are all projects that have used PLEXIL to help encode and automatically execute flight procedures, some normally performed by human pilots. AOS also automates a subset of pilot/Air Traffic Control communication towards enabling UAS entry into the National Airspace. PLEXIL has been open-source software since 2008 and has seen usage in a wide range of prototypical autonomy applications in academia, government, and industry. In this presentation, we describe PLEXIL and highlight its significant accomplishments in the aviation domain.

Dalal, Michael↗
NASA NTRSDate not supplied

Open Data Integration (ODIN): A Concurrent, Distributed Message-Based Architecture and Framework for Disaster Response

The Runtime for Airspace Concept Evaluation (RACE) is an open-source software architecture and framework to build configurable, highly concurrent and distributed message-based systems that offer scalable, low-latency performance on commodity hardware. RACE was used in commercial aviation applications to rapidly build systems that span several machines (including synchronized displays), interface existing hardware simulators and other live data feeds, and incorporate sophisticated visualization components such as NASA WorldWind. These RACE applications validated elements of the FAA’s System Wide Information Management (SWIM) Program, handling up to 1000 messages/sec from diverse sources (SFDPS, TFM-DATA, TAIS, ASDE-X, ITWS and local ADS) for 4,500 simultaneous flights tracked in the next-generation air transportation system’s digital backbone. We have since generalized RACE to support Open Data Integration (ODIN) applications outside aviation. Systems built with RACE/ODIN can be deployed in the field, on commodity hardware, and operate with limited or intermittent connectivity to the outside world. Our primary use case is a web-server with local/persistent data storage that runs within and only serves the stakeholder network (e.g. an incident command post). We are tailoring the RACE/ODIN system to support wildland fire management for the upcoming NASA Wildland Fire Safety Demonstration Series. RACE-ODIN is under consideration for application in the Scalable Traffic Management for Emergency Response Operations project, or STEReO, which aims to create a system that can be deployed during emergencies, to coordinate multiple elements of disaster response. Such data sources predominantly come from existing services on the internet (e.g. weather and satellite data, imported from so called "edge servers") but can also include dynamic (real-time) data from computer simulations and within the stakeholder network (such as aircraft and personnel tracking information). We will present the architecture and ODIN system demonstration incorporating local data from instrumented power-line towers, interpolated weather data and geospatial data from space-based platforms.

Joseph C Coughlan↗
NASA NTRSDate not supplied

Open Data Integration (ODIN): A Concurrent, Distributed Message-Based Architecture and Framework for Disaster Response

The Runtime for Airspace Concept Evaluation (RACE) is an open-source software architecture and framework to build configurable, highly concurrent and distributed message-based systems that offer scalable, low-latency performance on commodity hardware. RACE was used in commercial aviation applications to rapidly build systems that span several machines (including synchronized displays), interface existing hardware simulators and other live data feeds, and incorporate sophisticated visualization components such as NASA WorldWind. These RACE applications validated elements of the FAA’s System Wide Information Management (SWIM) Program, handling up to 1000 messages/sec from diverse sources (SFDPS, TFM-DATA, TAIS, ASDE-X, ITWS and local ADS) for 4,500 simultaneous flights tracked in the next-generation air transportation system’s digital backbone. We have since generalized RACE to support Open Data Integration (ODIN) applications outside aviation. Systems built with RACE/ODIN can be deployed in the field, on commodity hardware, and operate with limited or intermittent connectivity to the outside world. Our primary use case is a web-server with local/persistent data storage that runs within and only serves the stakeholder network (e.g. an incident command post). We are tailoring the RACE/ODIN system to support wildland fire management for the upcoming NASA Wildland Fire Safety Demonstration Series. RACE-ODIN is under consideration for application in the Scalable Traffic Management for Emergency Response Operations project, or STEReO, which aims to create a system that can be deployed during emergencies, to coordinate multiple elements of disaster response. Such data sources predominantly come from existing services on the internet (e.g. weather and satellite data, imported from so called "edge servers") but can also include dynamic (real-time) data from computer simulations and within the stakeholder network (such as aircraft and personnel tracking information). We will present the architecture and ODIN system demonstration incorporating local data from instrumented power-line towers, interpolated weather data and geospatial data from space-based platforms.

Guillaume P Brat↗
DOE OSTI2024

Battery State of Health Estimator: Cooperative Research and Development Final Report

NREL has developed a software tool to enable Renewance to estimate the degradation of batteries from basic information such as the type of battery and the application of that battery during its first life, so that used batteries may be evaluated for potential repurposing at low cost. This software tool utilizes NREL's BLAST-Lite battery degradation modeling code, which was updated with additional models for commercially produced lithium-ion batteries as a part of this CRADA. The software tool enables users to input details such as battery type and application so that lifetime estimates can be made without any programming or expert battery knowledge. The application input loads in saved values for parameters such as cycles per year, depth-of-discharge, and other battery operating parameters from a file defined by Renewance. These parameters may be modified to refine simulations for specific batteries. The software tool also incorporates a degradation model optimization tool, whereby existing battery degradation models may be tuned according to measured battery health. This ensures that new models still predict degradation behaviors expected from a certain battery chemistry, but with the overall degradation rate tuned to a specific battery make and model. The new model can then be saved for estimating the degradation of other similar batteries. An additional task was planned to utilize machine-learning to enable battery health diagnosis from rapid EIS measurements to accelerate the screening of used batteries. This task was not completed due to lack of available data for training a machine-learning model. CRADA benefit to DOE, Participant, and US Taxpayer: Further development of open-source software tool BLAST-Lite for predicting the lifetime of commercially produced Lithium-ion batteries (NREL SWR-22-69).

25 ENERGY STORAGE↗
DOE OSTI2024

MaterialsMap: A CALPHAD-based tool to design composition pathways through feasibility map for desired dissimilar materials, demonstrated with resistance spot welding joining of Ag-Al-Cu

Assembly of dissimilar metals can be achieved by different methods, for example, casting, welding, and additive manufacturing (AM). However, undesired phases formed in liquid-phase assembling processes due to solute segregation during solidification diminish mechanical and other properties of the processed parts. In the present work, an open-source software named MaterialsMap, has been developed based on the CALculation of Phase Diagrams (CALPHAD) approach. The primary objective of MaterialsMap is to facilitate the design of an optimal composition pathway for assembling dissimilar alloys with liquid-phases based on the formation of desired and undesired phases along the pathway. In MaterialsMap, equilibrium thermodynamic calculations are used to predict equilibrium phases formed at slow cooling rate, while Scheil-Gulliver simulations are employed to predict non-equilibrium phases formed during rapid cooling. Additionally, by combining these two simulations, MaterialsMap offers a thorough guide for understanding phase formation in various manufacturing processes, assisting users in making informed decisions during material selection and production. As a demonstration of this approach, a compositional pathway was designed from pure Al to pure Cu through Ag using MaterialsMap. The design was experimentally verified using resistance spot welding (RSW).

36 MATERIALS SCIENCE↗
DOE OSTI2026

Self-Admitted Technical Debt in Scientific Software: Prioritization, Sentiment, and Propagation Across Artifacts

Self-admitted technical debt (SATD) impairs scientific software (SSW), yet its prioritization, sentiment, persistence, and propagation remains underexplored. Understanding how SSW developers express, and address SATD is crucial for improving SSW maintenance, and tooling. This study investigates how SATD types and artifacts in SSW are prioritized, how sentiment relates to urgency, SATD removal and resolution rates, and the extent to which SATD propagates across artifacts. We analyzed nine SSW repositories using a SATD classification model and a semantic embedding-based prioritization heuristic. SATD was examined across multiple artifacts, with sentiment assessed via a fine-tuned transformer. Propagation was traced, priority scores compared to static analysis, and removal and resolution rates quantified. SATD in comments, commits, and pull requests receive higher priority than SATD in issues, with negative sentiment amplifying urgency. Resolution and removal rates lag behind open-source software (OSS) averages. Most SATD remains confined to the originating artifact, but longer propagation chains are rare and correlate with higher priority, highlighting persistent and high impact debt. Prioritization is influenced by artifact type and sentiment, while low removal and resolution rates signal persistent debt. Cross-artifact propagation marks high priority, unresolved SATD, providing empirical guidance for targeted monitoring, review prioritization, and tool supported maintenance in SSW.

Melin, Eric [Boise State University]↗
DOE OSTI2026

Finding the missing pieces: filling gaps that impede the translation of omics data into models

High-throughput omics technologies such as DNA sequencing have made the sequencing and computational assembly of microbial genomes recovered from the environment relatively routine. Computational inference of the protein products encoded by these genomes, and the associated biochemical functions, should enable the accurate prediction and modeling of microbial metabolism, organismal interactions, and ecosystem processes. However, a lack of scalable, probabilistic protein annotation tools limits the full potential of modeling for understanding the metabolism and biogeochemical cycles of microbial communities. Our approach to improve inference of protein annotations and metabolic models relied on learning from and emulating expert manual curation, leveraging software engineering and data science best practices to scale up the throughput and accuracy of annotations and metabolic model construction, building software to objectively evaluate different annotation strategies, and more closely linking the protein annotation and metabolic model inference process. Outcomes of this research include several improved or new computational tools, including DRAM (Distilled and Refined Annotation of Metabolism) for annotating microbial genomes with protein function and metabolic traits, CAMPER (Curated Annotations for Microbial Polyphenol Enzymes and Reactions) for annotating key polyphenol metabolisms, EC-Bench for comprehensive and unbiased benchmarking of annotation tools, and several apps available via the DOE Systems Biology Knowledgebase (KBase) for building genome-scale metabolic models. We demonstrate that these tools allow us to scalably annotate and understand thousands of genomes for microbial communities from a variety of systems and test cases, including rivers, thawing permafrost, and gut microbiomes. All of these computational tools are available as open-source software, with most broadly and easily accessible to the scientific community via KBase apps.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2023

Kamodo: Simplifying Model Data Access and Utilization

To address the lack of user-friendly software needed to simplify the utilization of model data across Heliophysics, the Community Coordinated Modeling Center (CCMC) at NASA’s Goddard Space Flight Center has developed a model-agnostic method via Kamodo for users to easily access and utilize model data in their workflows. By abstracting away the broad range of file formats and the intricacies of interpolation on specialized grids, this approach significantly lowers the barrier to model data access and utilization for the community while adding exciting new capabilities to their tool boxes. This paper describes the direct interfaces to the model data, called model readers, and a basic introduction on how to use them. Additionally, we detail the planned approach for including custom interpolation codes, and include current progress on specialized visualization developments. The CCMC is maintaining Kamodo as an official NASA open-sourced software to enable and encourage community collaboration.

Heliophysics↗
DOE OSTI2025

JUSTIFI: Software for Improving Performance Objectives via Energy Efficiency

With growing energy supply concerns and rising costs, energy efficiency is a critical component of industrial energy resilience and competitiveness by directly reducing energy operating costs. Energy efficiency projects in manufacturing also yield valuable benefits to other key metrics, such as improved quality, reduced maintenance costs, improved safety, decreased pollution, and enhanced productivity. However, it is difficult to receive approval for energy efficiency projects, so implementation rates are low, even when meeting capital project payback period criteria. The inclusion and quantification of non-energy benefits (NEBs) in the decision-making process for energy efficiency projects can improve the overall financial payback period while demonstrating a positive impact on the firm's key performance metrics and business strategy. Despite their significant financial and strategic value, NEBs are rarely factored into decision-making due to lack of tools to effectively identify and quantify them. Therefore, a comprehensive and integrative approach is needed for the rapidly evolving energy landscape. To address these challenges, through funding from U.S. Department of Energy, our new assessment methodology integrates common continuous improvement six sigma concepts, such as the DMAIC process, and a protocol of guiding questions, into energy efficiency assessments to identify NEBs. We have also developed open-source software, JUSTIFI, to guide users through this process, data collection, and quantification. It is designed to be used concurrently with DOE energy system analysis software suite, MEASUR. Our methodology and tools inform energy assessors, firm engineering, decision makers, and workforce seeking to increase energy resilience and to maximize benefits aligned with performance metrics.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Tractometry of the Human Connectome Project: resources and insights

The Human Connectome Project (HCP) has become a keystone dataset in human neuroscience, with a plethora of important applications in advancing brain imaging methods and an understanding of the human brain. We focused on tractometry of HCP diffusion-weighted MRI (dMRI) data. We used an open-source software library (pyAFQ; https://yeatmanlab.github.io/pyAFQ) to perform probabilistic tractography and delineate the major white matter pathways in the HCP subjects that have a complete dMRI acquisition (n = 1,041). We used diffusion kurtosis imaging (DKI) to model white matter microstructure in each voxel of the white matter, and extracted tract profiles of DKI-derived tissue properties along the length of the tracts. We explored the empirical properties of the data: first, we assessed the heritability of DKI tissue properties using the known genetic linkage of the large number of twin pairs sampled in HCP. Second, we tested the ability of tractometry to serve as the basis for predictive models of individual characteristics (e.g., age, crystallized/fluid intelligence, reading ability, etc.), compared to local connectome features. To facilitate the exploration of the dataset we created a new web-based visualization tool and use this tool to visualize the data in the HCP tractometry dataset. Finally, we used the HCP dataset as a test-bed for a new technological innovation: the TRX file-format for representation of dMRI-based streamlines. We released the processing outputs and tract profiles as a publicly available data resource through the AWS Open Data program's Open Neurodata repository. We found heritability as high as 0.9 for DKI-based metrics in some brain pathways. We also found that tractometry extracts as much useful information about individual differences as the local connectome method. We released a new web-based visualization tool for tractometry—“Tractoscope” (https://nrdg.github.io/tractoscope). We found that the TRX files require considerably less disk space-a crucial attribute for large datasets like HCP. In addition, TRX incorporates a specification for grouping streamlines, further simplifying tractometry analysis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

ExaCA v2.0: A versatile, scalable, and performance portable cellular automata application for additive manufacturing solidification

The previously established ExaCA software for performance portable alloy grain structure simulation has been updated to better represent the solidification behavior during complex alloy processing conditions, such as those encountered during metal additive manufacturing (AM), and for improved performance and scalability. Here, an extension to the time–temperature history input data format and the core ExaCA algorithm to include an arbitrary number of melting and solidification events yielded improved prediction of texture for various melt pool geometries, expanding the range of AM-relevant conditions that can be accurately simulated. Improved heat transport process simulation coupling, including the creation of large raster datasets from single track time–temperature history data and in-memory coupling with the new, performance portable finite difference code Finch, were also demonstrated in example studies on the effect of multilayer AM microstructure predictions on hatch spacing and cell size, respectively. Additional new features are detailed and demonstrated, including the ability to perform simulations using various interfacial response function forms, execute simulations on state-of-the-art hardware, improved usability through post-processing versatility, and improved strong and weak scaling performance. The performance, physics, and versatility improvements demonstrated here will further enable large-scale studies on AM process–microstructure relationships that were not previously possible. Furthermore, the usability improvements and ability to run coupled AM process–microstructure simulations using the Finch-ExaCA workflow will facilitate broader use of this open-source software by the computational materials community.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Westcott g factors extended to arbitrary neutron energy spectra

Westcott 𝑔 factors are used in Neutron Activation Analysis (NAA) and Prompt Gamma-ray Activation Analysis (PGAA) to evaluate the impact of non-1∕𝑣 behavior in the neutron-capture cross sections of certain nuclei on activation product yields. This non-1∕𝑣 behavior arises from the presence of neutron resonances in the neutron- capture cross sections that overlap with the source neutron spectrum at low (< 5 eV) energies. Historically, Westcott 𝑔 factors that have been cataloged for NAA and PGAA applications are the result of calculations that assume a Maxwellian neutron flux distribution with a given temperature. In this work, we use this approach with updated neutron-capture cross sections from the Evaluated Nuclear Data File, version VIII.1 (ENDF/B-VIII.1) to tabulate Westcott 𝑔 factor values for a broad range of Maxwellian distribution temperatures, comparing the results against currently-available 𝑔 factors from International Atomic Energy Agency tables and other sources. Here, it was discovered during this analysis that the use of guided thermal and cold-neutron beams at certain facilities necessitates an approach for evaluating Westcott 𝑔 factors based on arbitrary non-Maxwellian spectra. In this paper, we present an approach for calculating 𝑔 factors with user-specified neutron spectra, and we demonstrate these methods to obtain Westcott 𝑔-factors for guided- and cold-neutron beams at the Budapest Research Reactor and the Forschungsreaktor München II reactor. As part of this work, open-source software has been developed that can be used to perform these calculations for applications in PGAA and NAA experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Generation of random geological models using multi-randomization for machine learning

Generating high-fidelity geological models is essential for advancing machine learning (ML) methods in automated seismic interpretation. For instance, seismic images paired with corresponding fault labels are foundational for ML-based fault detection from seismic migration sections. While several open-access datasets of random geological models exist, open-source tools specifically designed to produce large volumes of such models for ML applications remain scarce. To address this gap, we present RGM (Random Geological Model), an open-source software package for efficiently generating 2D and 3D synthetic geological models tailored for ML workflows. RGM supports the creation of diverse model components, including medium property distributions (P-/S-wave velocities and density), seismic reflectivity images (i.e., synthetic migration sections), relative geological time, and discrete fault attributes such as probability, dip, strike, rake, and displacement. It also accommodates the creation of complex geological features such as salt bodies and unconformities. The model generation algorithm employs a multi-randomization strategy, yielding an effectively infinite-dimensional model space that encompasses a wide range of geological scenarios and associated seismic features. Furthermore, RGM incorporates a method to generate synthetic elastic migration images using analytical elastic reflection coefficients combined with frequency-dependent scaling. This functionality enables the creation of training datasets for ML models that leverage elastic seismic images. RGM is implemented in modern object-oriented Fortran, allowing users to flexibly control statistical parameters governing model variability. We demonstrate the capability, performance, and geological realism of the package through comprehensive 2D and 3D examples.

58 GEOSCIENCES↗
DOE OSTI2025

Thermodynamic modeling of countercurrent chemical looping reverse water gas shift process for redox material screening

The reverse water gas shift (RWGS) reaction is a key pathway for CO 2 utilization, particularly within Power-to-X process chains aimed at sustainable fuel and chemical production. Countercurrent chemical looping (CL-RWGS) using non-stoichiometric oxides can overcome equilibrium limitations of conventional RWGS reactors, enabling significantly higher CO 2 conversions. However, modeling the limiting performance of such systems is challenging due to their multiphase nature and coupled spatial and temporal variation in chemical composition. In this work, we present a discretized batch equilibrium model that simulates CL-RWGS reactors as a series of localized equilibrium exchanges between gas and solid elements. The model is numerically stable, computationally efficient, and free of kinetic source terms, making it well-suited for parametric studies and system-level integration. It is validated against established convection–diffusion models and shown to predict reasonable upper bounds on experimental results. Application of the model to a range of oxygen carrier materials identifies cerium–zirconium solid solutions, particularly Ce 0.80 Zr 0.20 O 2 , as a promising class offering superior oxygen storage characteristics compared to state-of-the-art La 0.6 Sr 0.4 FeO 3 . This framework provides a robust platform for materials screening, reactor sizing, and performance optimization in chemical looping systems. The model implementation is available as open-source software to support further research and development.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗