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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
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 OSTI2023

Phenopacket-tools: Building and validating GA4GH Phenopackets

The Global Alliance for Genomics and Health (GA4GH) is a standards-setting organization that is developing a suite of coordinated standards for genomics. The GA4GH Phenopacket Schema is a standard for sharing disease and phenotype information that characterizes an individual person or biosample. The Phenopacket Schema is flexible and can represent clinical data for any kind of human disease including rare disease, complex disease, and cancer. It also allows consortia or databases to apply additional constraints to ensure uniform data collection for specific goals. We present phenopacket-tools, an open-source Java library and command-line application for construction, conversion, and validation of phenopackets. Phenopacket-tools simplifies construction of phenopackets by providing concise builders, programmatic shortcuts, and predefined building blocks (ontology classes) for concepts such as anatomical organs, age of onset, biospecimen type, and clinical modifiers. Phenopacket-tools can be used to validate the syntax and semantics of phenopackets as well as to assess adherence to additional user-defined requirements. The documentation includes examples showing how to use the Java library and the command-line tool to create and validate phenopackets. We demonstrate how to create, convert, and validate phenopackets using the library or the command-line application. Source code, API documentation, comprehensive user guide and a tutorial can be found at https://github.com/phenopackets/phenopacket-tools. The library can be installed from the public Maven Central artifact repository and the application is available as a standalone archive. The phenopacket-tools library helps developers implement and standardize the collection and exchange of phenotypic and other clinical data for use in phenotype-driven genomic diagnostics, translational research, and precision medicine applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

EM Physics

Geant4 provides a comprehensive set of electromagnetic (EM) processes and models for electron/positron, gamma and long-lived charged particles, spanning energies from 100 eV to 100 TeV. Covering diverse energy regions often requires multiple models, which can be constructed using pre-packaged or user-defined EM physics constructors. Geant4 also supports detailed low-energy EM physics through models like Livermore, Penelope, and ICRU73, offering extensive data for elements across a wide energy range (250 eV–100 GeV). Application domains include space, medical, and radiobiology simulations. Additionally, Geant4 provides robust options for simulating complex optical photon production and transportation processes, enhancing its versatility in physics research and applications.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Overview on Transactive Energy—Advantages and Challenges for Weak Power Grids

This document lists some challenges that researchers face when implementing transactive energy in weak power grids. These challenges often include high voltage fluctuations, limited generation, high line loadability, and unbalanced grids. The operation of transactive energy, as well as optimization techniques, are also considered, highlighting the performance and functionalities depending on power grid characteristics and market topology. Some of the most used optimization techniques for market clearing, considering the characteristics and topology, are presented as part of the research work. In addition, this paper compares different market topologies and highlights their advantages and challenges. Furthermore, this paper contains a brief description of the interoperability frameworks applied to a smart grid. As a result, it was determined that interoperability is necessary for the proper functioning of the grid. Moreover, all methods were found to be effective for their purpose from the user’s point of view as each technique has different characteristics relevant to the user and the grid. It was concluded that it is convenient to combine the optimization techniques to consider different constraints in the market clearing.

14 SOLAR ENERGY↗
DOE OSTI2022

2021 Annual Report: Atmospheric Radiation Measurement

In fiscal year 2021 (FY2021), the COVID-19 pandemic continued to have an impact on activities within the Atmospheric Radiation Measurement (ARM) user facility. Travel was limited, which affected field activities and forced the continuation of virtual meetings. However, the ability to travel expanded significantly through the year, bringing some return to normalcy, and throughout the year, there was a great deal of activity dedicated to advancing the facility. Because of COVID, ARM twice delayed the TRacking Aerosol Convection interactions ExpeRiment (TRACER) in the Houston, Texas, area. Originally planned to launch in the spring, TRACER started October 1, 2021, one month after the Surface Atmosphere Integrated Field Laboratory (SAIL) campaign began near Crested Butte, Colorado. ARM teams worked onsite and remotely to make sure both campaigns could launch on this new schedule that was set early in the year. Data from SAIL and TRACER will be critical to improving earth system models, each contributing to different sets of issues. SAIL measurements will provide insights into how precipitation forms and water travels through the Upper Colorado River Basin. TRACER scientists want to know whether tiny atmospheric particles can influence the severity of thunderstorms. In October 2020, the Multidisciplinary Drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition ended after 13 months. MOSAiC data from ARM and other organizations are already helping scientists better understand how ice, atmosphere, and ocean systems are connected in the central Arctic. This report discusses some early investigations from MOSAiC, along with other ARM campaigns and activities generating prolific research. In this report, you will also learn how research activities moved forward during the pandemic at ARM’s fixed-location atmospheric observatories. There were important science applications from measurements across the facility. ARM spent a significant amount of FY2021 looking back—and ahead. In November 2020, ARM had its Triennial Review. This review is held every three years to evaluate ARM’s effectiveness in science, operations, and management. Overall, the reviewers had positive feedback regarding the breadth and impact of science activities using ARM data and the way ARM strives to meet changing user needs. The reviewers also provided some recommendations for strengthening ARM going forward. Incorporating feedback from the review, we finalized an updated Decadal Vision document that will help guide ARM priorities in the coming years. This report describes the four themes driving ARM’s Decadal Vision.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Insights from 20 years of the Molecule of the Month

For 20 years, Molecule of the Month articles have highlighted the functional stories of 3D structures found in the Protein Data Bank (PDB). The PDB is the primary archive of atomic structures of biological molecules, currently providing open access to more than 150,000 structures studied by researchers around the world. The wealth of knowledge embodied in this resource is remarkable, with structures that allow exploration of nearly any biomolecular topic, including the basic science of genetic mechanisms, mechanisms of photosynthesis and bioenergetics, and central biomedical topics like cancer therapy and the fight against infectious disease. The central motivation behind the Molecule of the Month is to provide a user-friendly introduction to this rich body of data, charting a path for users to get started with finding and exploring the many available structures. The Molecule of the Month and related materials are updated regularly at the education portal PDB-101 (http://pdb101.rcsb.org/), offering an ongoing resource for molecular biology educators and students around the world.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Advancing Comprehension of Quantum Application Outputs: A Visualization Technique

Noise in quantum computers presents a challenge for the users of quantum computing despite the rapid progress we have seen in the past few years in building quantum computers. Existing works have addressed the noise in quantum computers using a variety of mitigation techniques since error correction requires a large number of qubits which is infeasible at present. One of the consequences of quantum computing noise is that users are unable to reproduce similar output from the same quantum computer at different times, let alone from various quantum computers. In this work, we have made initial attempts to visualize quantum basis states for all the circuits that were used in quantum machine learning from various quantum computers and noise-free quantum simulators. We have opened up a pathway for further research into this field where we will be able to isolate noisy states from non-noisy states leading to efficient error mitigation. This is where our work provides an important step in the direction of efficient error mitigation. Our work also provides a ground for quantum noise visualization in the case of large numbers of qubits.

Senapati, Priyabrata↗
DOE OSTI2023

Offshore Geologic Carbon Storage (GCS) Inventory

The Offshore Geological Carbon Storage Inventory Web Map is an online web mapping application designed to help users explore and visualize the Offshore Geologic Carbon Storage Inventory. This dataset is an inventory of offshore geologic carbon storage (GCS) projects and studies, gathered to summarize ongoing GCS efforts taking place offshore globally. This inventory includes both actualized projects as well as characterization studies and aggregates a variety of attribute fields for each project / study. It is intended to be used for research and comparison purposes, see full disclaimer and credits.

Assessment↗
DOE OSTI2021

Recommendations for Distributed Energy Resource Access Control

Cybersecurity for internet - connected Distributed Energy Resources (DER) is essential for the safe and reliable operation of the US power system. Many facets of DER cybersecurity are currently being investigated within different standards development organizations, research communities, and industry committees to address this critical need. This report covers DER access control guidance compiled by the Access Controls Subgroup of the SunSpec/Sandia DER Cybersecurity Workgroup. The goal of the group was to create a consensus - based technical framework to minimize the risk of unauthorized access to DER systems. The subgroup set out to define a strict control environment where users are authorized to access DER monitoring and control features through three steps: (a) user is identified using a proof-of-identity, (b) the user is authenticated by a managed database, (c) and the user is authorized for a specific level of access. DER access control also provides accountability and nonrepudiation within the power system control environment that can be used for forensic analysis and attribution in the event of a cyber-attack. This paper covers foundational requirements for a DER access control environment as well as offering a collection of possible policy, model, and mechanism implementation approaches for IEEE 1547-mandated communication protocols.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2025

ESnet Data and AI Workshop Report

In February 2025, the DOE user facility Energy Sciences Network (ESnet) held a three-day Data and AI Workshop in Berkeley, California. The objective of the workshop was to identify challenges within ESnet that could be addressed through data-driven methods, to help define ESnet’s data-analysis requirements, and to shape its AI strategy, guiding data-stewardship efforts and the direction of AI research and AIOps exploration for ESnet7, the next iteration of ESnet’s network. This report summarizes the multi-faceted discussions and findings and presents a set of recommendations for next steps.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

The Geothermal Data Repository: Ten Years of Supporting the Geothermal Industry with Open Access to Geothermal Data: Preprint

The Department of Energy's (DOE) Geothermal Data Repository (GDR) is celebrating its tenth anniversary! Over the last decade it has grown from the simple idea of storing public data in a centralized location to a valuable tool at the center of the US geothermal scientific community and an integral part of the DOE Geothermal Technologies Office (DOE GTO) project management strategy. Researchers funded by the DOE GTO have contributed over 1,300 data submissions to the GDR. These data have been used to further advancements in geothermal science, economic analysis, exploration, research, development, and operational efficiency. The adoption of open data methodologies and a data management strategy that prioritizes universal open access and standardized, interoperable data have further increased the value of GDR data, making them available across a distributed network of data sharing partners and improving their utility to other industries and related fields, including material science and space exploration. Incorporating feedback from users has been critical to the GDRs success, allowing it to grow over the years to meet the evolving needs of the geothermal community. This paper will explore some of many changes that occurred throughout the GDRs tenure and the lessons learned along the way, as well as highlight some of the new features and recent improvements that been implemented to support innovation, reduce duplication of effort, and advance the geothermal industry as a whole.

accessibility↗
DOE OSTI2022

The Geothermal Data Repository: Ten Years of Supporting the Geothermal Industry with Open Access to Geothermal Data

The Department of Energy's (DOE) Geothermal Data Repository (GDR) is celebrating its tenth anniversary! Over the last decade it has grown from the simple idea of storing public data in a centralized location to a valuable tool at the center of the US geothermal scientific community and an integral part of the DOE Geothermal Technologies Office (DOE GTO) project management strategy. Researchers funded by the DOE GTO have contributed over 1,300 data submissions to the GDR. These data have been used to further advancements in geothermal science, economic analysis, exploration, research, development, and operational efficiency. The adoption of open data methodologies and a data management strategy that prioritizes universal open access and standardized, interoperable data have further increased the value of GDR data, making them available across a distributed network of data sharing partners and improving their utility to other industries and related fields, including material science and space exploration. Incorporating feedback from users has been critical to the GDR's success, allowing it to grow over the years to meet the evolving needs of the geothermal community. This paper will explore some of many changes that occurred throughout the GDRs tenure and the lessons learned along the way, as well as highlight some of the new features and recent improvements that been implemented to support innovation, reduce duplication of effort, and advance the geothermal industry as a whole.

access↗
DOE OSTI2023

Subsetted model output for static variables from a LASSO-CACTI WRF simulation

Static model output from a Weather Research and Forecasting (WRF) simulation from the Large-Eddy Simulation (LES) Atmospheric Radiation Measurement (ARM) Symbiotic Simulation and Observation (LASSO) deep-convection scenario for the Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign. The LASSO-CACTI simulations span grid spacings from 7.5 km to 100 m through the use of four nested domains, labeled d1 through d4. The simulations are of convection near the Sierras de Córdoba mountain range, roughly centered on the ARM Mobile Facility. More information can be found at https://www.arm.gov/capabilities/modeling/lasso. This version of the output is a collection of variables subsetted from the raw WRF output to reduce the file overhead for users not needing the full raw dataset. The subset files are in netCDF format with the height-based variables on the raw, model eta and soil levels. The variables in this file are ones that do not change during a simulation, such as the terrain height and map-scale factors.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Subsetted model output for aerosol-related variables from a LASSO-CACTI WRF simulation

Aerosol-related model output from a Weather Research and Forecasting (WRF) simulation from the Large-Eddy Simulation (LES) Atmospheric Radiation Measurement (ARM) Symbiotic Simulation and Observation (LASSO) deep-convection scenario for the Cloud, Aerosol, and Complex Terrain Interactions (CACTI) field campaign. The LASSO-CACTI simulations span grid spacings from 7.5 km to 100 m through the use of four nested domains, labeled d1 through d4. The simulations are of convection near the Sierras de Córdoba mountain range, roughly centered on the ARM Mobile Facility. More information can be found at https://www.arm.gov/capabilities/modeling/lasso. This version of the output is a collection of variables subsetted from the raw WRF output to reduce the file overhead for users not needing the full raw dataset. The subset files are in netCDF format with the height-based variables on the raw, model eta levels. The aerosol properties are consistent with the Thompson aerosol-aware cloud microphysics scheme where the simulated aerosol are proxies for representative “water friendly” and “ice friendly” aerosol.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

PERCEPTIVE: an R shiny $\underline{p}$ipelin$\underline{e}$ for the p$\underline{r}$edi$\underline{c}$tion of $\underline{ep}$igenetic modula$\underline{t}$ors $\underline{i}$n no$\underline{v}$el sp$\underline{e}$cies

Epigenetic processes are central to regulating gene expression, genome stability, and metabolic function across the tree of life; yet, their roles remain underexplored in microalgae, especially as new species continue to be identified and characterized. This is likely due to the cumbersome nature and species-dependent attributes of epigenetic wet-lab methodologies, which preclude the rapid identification of epigenetic modifications and modulators. However, there is high conservation of epigenetic processes from budding yeast to humans; in many cases, one may infer how behavior and function are epigenetically regulated in novel species by identifying epigenetic modulators, or the proteins responsible for conferring epigenetic modifications. Here, to this end, we have developed a graphical software package, titled PERCEPTIVE (pipeline for the prediction of epigenetic modulators in novel species). This platform solely uses the genomic sequence of an algal species, and preexisting information from other model organisms, to predict the epigenetic modulators and associated modifications in algae. Predictions are presented to the user in a graphical interface, which provides literature-based interpretation of results, enabling users to quickly understand potential epigenetic processes in their algal species of interest and plan follow-up experiments. To test PERCEPTIVE, we predicted epigenetic modulators in several feedstock candidate algae species. To validate these predictions, wet-lab studies were performed, including mass spectrometry; these results underscore the high accuracy of PERCEPTIVE predictions. Overall, PERCEPTIVE represents a powerful in silico tool for the research and manipulation of algal species, which does not require a priori knowledge of epigenetics and is accessible to a broad set of investigators.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

AutoLabs: cognitive multi-agent systems with self-correction for autonomous chemical experimentation

The automation of chemical research through self-driving laboratories (SDLs) promises to accelerate scientific discovery, yet the reliability and granular performance of the underlying AI agents remain critical, under-examined challenges. In this work, we introduce AutoLabs, a self-correcting, multi-agent architecture designed to autonomously translate natural-language instructions into executable protocols for a high-throughput liquid handler. The system engages users in dialogue, decomposes experimental goals into discrete tasks for specialized agents, performs tool-assisted stoichiometric calculations, and iteratively self-corrects its output before generating a hardware-ready file. We present a comprehensive evaluation framework featuring five benchmark experiments of increasing complexity, from simple sample preparation to multi-plate timed syntheses. Through a systematic ablation study of 20 agent configurations, we assess the impact of reasoning capacity, architectural design (single- vs. multi-agent), tool use, and self-correction mechanisms. Our results demonstrate that agent reasoning capacity is the most critical factor for success, reducing quantitative errors in chemical amounts (nRMSE) by over 85% in complex tasks. When combined with a multi-agent architecture and iterative self-correction, AutoLabs approaches expert-authored reference procedures on the benchmark (F1-score > 0.89) on challenging multi-plate syntheses. These findings establish a clear blueprint for developing robust and trustworthy AI partners for autonomous laboratories, highlighting the synergistic effects of modular design, advanced reasoning, and self-correction to ensure both performance and reliability in high-stakes scientific applications. Code: https://github.com/pnnl/autolabs

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

CO2 Handling & Electrolyzer Efficiency Scaling Evaluator

CHEESE is an interactive dashboard tool for estimating the performance and material requirements of carbon dioxide electrolysis systems. It helps users evaluate how electrode area, current density, product selectivity, gas flow, cell voltage, and the number of cells in a stack affect system operation. The dashboard provides simple and advanced modes so it can be used for both quick estimates and more detailed engineering analysis. Users can estimate product output, carbon dioxide use, electrical power, electrode area, gas and liquid flow rates, energy efficiency, material cost per test, and the effect of scaling from a single cell to a multi cell stack. It also includes tools for examining carbon balance, equipment durability, component replacement, and changes in performance over time. This is intended to help both academia and industry researchers who are either getting into CO2 electrolysis on lab-scale or are trying to establish a larger footprint. CHEESE presents results through tables, charts, and simplified cell and stack diagrams. It is intended to support research planning, experimental design, comparison of operating conditions, and early stage scale up studies.

Prajapati, Aditya [Lawrence Livermore National Lab↗
DOE OSTI2025

Virtual Engineering: Python framework for engineering process design

Virtual Engineering (VE) is a Python software framework designed to accelerate the research and development of engineering processes that are fundamentally defined by multiple unit operations executed in series. VE supports a wide variety of different multi-physics models and integrates them to simulate a complete end-to-end process. To automate the execution of this model sequence, VE provides (i) a robust method to communicate between models, (ii) a high-level, user-friendly interface to set model parameters and enable optimization, and (iii) an overall model-agnostic approach that allows new computational units to be swapped in and out of workflows. Although the VE framework was developed to support the biochemical conversion of biomass to fuel, we have designed each component to easily accommodate new domains and unit models.

09 BIOMASS FUELS↗