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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Heracles: Predictive Tools for Opioid Crisis Intervention - m/q Initiative Project Report

The opioid crisis in the United States is being fueled primarily by fentanyl and its molecular analogs, which can be anywhere from 50 to 1,000 times more potent than morphine. Fentanyl itself is straightforward to synthesize; furthermore, the structure is such that fentanyl’s flexible, rotatable side chains are easy to modify to create new analogs. Reference-free computational techniques to predict and identify new fentanyls have the potential to provide a desperately needed preemptive advantage to regulatory stakeholders and toxicologists. The computational pipeline Heracles was developed with this preemptive advantage in mind. Heracles has two primary components: 1) the creation of an in silico library of putative fentanyl analogs, and 2) a downselection pipeline to prioritize generated fentanyl analogs predicted to be potent and easy to synthesize. Experimental observables were also predicted for prioritized analogs, with validation of the observables begun. Heracles has demonstrated potential to aid in the advancement of reference-free paradigms while providing new tools to first responders and other stakeholders attempting to mitigate the opioid crisis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Developing tools and process controls to manufacture energy-efficient powders for additive manufacturing feedstocks: Computational analysis of metal powder manufacturing via machining

Traditionally, metal powders have been produced through methods such as grinding, atomization, and electrolysis. In contrast to these techniques, Metal Powder Works, Inc. has pioneered a methodology based on metal cutting. This innovative approach utilizes a vibrating cutting tool to machine metal particles, in the form of chips, from a workpiece. This technique allows for control of powder particle size, morphology, and avoids any thermally induced material changes. This collaboration aims to elucidate metal cutting characteristics and assess performance on tough materials like Inconel alloys. Computational models, using FEA and SPH techniques, will be developed initially, focusing on aluminum alloy (Al 7075-T6) for studying mesh sensitivity, cutting forces, and chip morphology.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Procurement Analysis Tool (PAT) Informational Webinar

This is a slide deck for the public PAT Informational Webinar scheduled for July 22, 2025. This the first webinar for PAT after the new tool was launched on nrel.gov on June 16, 2025.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

Procurement Analysis Tool (PAT) Informational Webinar for Clean Energy States Alliance

This is a slide deck for the Procurement Analysis Tool and the deck published in August 2025. This webinar is a part of the PAT roadshow and we are presenting it in different forums and to different audience. https://research-hub.nrel.gov/en/publications/procurement-analysis-tool-pat-informational-webinar

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2020

NREL Solar Data, Analysis, & Tools: FY19 Research Dissemination Statistics

This report summarizes the key Fiscal Year 2019 (FY19) outreach metrics for the NREL Solar Data, Analysis, and Tools (DAT) portfolio. All metrics herein reflect the reporting period of Oct. 1, 2018, through Sept. 30, 2019. These projects are all supported by the U.S. Department of Energy Solar Energy Technologies Office Soft Costs program.

14 SOLAR ENERGY↗
DOE OSTI2020

Tools Assessing Performance

For the distributed wind industry, it can be challenging to accurately predict the performance and annual energy production of projects prior to their installation. The U.S. Department of Energy’s Tools Assessing Performance (TAP) project aims to improve wind resource characterization, thereby reducing the uncertainty of project performance and financing costs, increasing consumer confidence, and lowering the levelized cost of distributed wind energy. A collaborative effort among DOE National Laboratories, TAP will create a computational framework that provides the distributed wind community with access to newly developed wind resource data and modeling capabilities. These capabilities will allow users to perform timely and accurate performance assessments for distributed wind projects at locations across the United States.

wind, distributed, tools, performance↗
DOE OSTI2021

City Decision Analysis Resources and Tools

The City Decision Analysis at Any Scale Workshop was held February 17-18, 2021. This brochure was created to provide participants with a collection of tools and resources that support planning and implementation of clean energy goals for communities and businesses.

ACES↗
DOE OSTI2021

FedFleet 2021: Federal Automotive Statistical Tool - Federal Vehicle Fleet Data Collection

This presentation presents a brief overview of the collection of information about the US government's fleet of motor vehicles using the Federal Automotive Statistical Tool (FAST), discusses the makeup and operation of the vehicle fleet during FY 2020, discusses challenges associated with quality of the submitted data, and touches on future aspects of fleet data collection and reporting. FAST is a web-based information system sponsored by GSA's Office of Government-wide Policy and DOE's Federal Energy Management Program to collect information about the US federal government's fleet of motor vehicles; FAST is developed, maintained, and supported by DOE's Idaho National Laboratory (INL).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2022

FedFleet 2022: Federal Automotive Statistical Tool - FY 2021 Fleet Trends and Data Quality

This presentation presents a brief overview of the collection of information about the US government's fleet of motor vehicles using the Federal Automotive Statistical Tool (FAST), discusses the makeup and operation of the vehicle fleet during FY 2021, discusses quality of the submitted data, and touches on future aspects of fleet data collection and reporting. FAST is a web-based information system sponsored by GSA's Office of Government-wide Policy and DOE's Federal Energy Management Program to collect information about the US federal government's fleet of motor vehicles; FAST is developed, maintained, and supported by DOE's Idaho National Laboratory (INL).

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2025

Scout: An AI-Driven Tool for Cyber Threat Report Creation

This talk will introduce Scout, an AI-driven tool designed to enhance the efficiency of cyber threat report creation. Attendees will learn how Scout leverages advanced AI technologies to streamline the reporting process, thereby enabling faster and more reliable threat assessments.

99 - GENERAL AND MISCELLANEOUS↗
DOE OSTI2021

Fast X-ray Nanotomography with Sub-10 nm Resolution as a Powerful Imaging Tool for Nanotechnology and Energy Storage Applications

In the last decade, transmission X-ray microscopes (TXMs) have come into operation in most of the synchrotrons worldwide. They have proven to be outstanding tools for non-invasive ex and in situ 3D characterization of materials at the nanoscale across varying range of scientific applications. However, their spatial resolution has not improved in many years, while newly developed functional materials and microdevices with enhanced performances exhibit nanostructures always finer. Here, optomechanical breakthroughs leading to fast 3D tomographic acquisitions (85 min) with sub-10 nm spatial resolution, narrowing the gap between X-ray and electron microscopy, are reported. These new achievements are first validated with 3D characterizations of nanolithography objects corresponding to ultrahigh-aspect-ratio hard X-ray zone plates. Then, this powerful technique is used to investigate the morphology and conformality of nanometer-thick film electrodes synthesized by atomic layer deposition and magnetron sputtering deposition methods on 3D silicon scaffolds for electrochemical energy storage applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Supply Chain Energy and Greenhouse Gas Analysis Using the Materials Flows Through Industry (MFI) Tool: Examination of Alternative Technology Scenarios for the U.S. Chemical Sector

Chemical manufacturing is a large and diverse sector of the U.S. economy, with products, fuels, and a wide assortment of materials used daily by both the public and businesses. Currently, several of the largest volume chemicals produced in the United States rely on fossil fuels as a feedstock, energy source, or both. The list of chemicals includes steam cracking products such as ethylene, propylene, benzene, and xylenes as well as products such as ammonia and methanol. The focus for this work is on platform chemicals that are both produced in the largest volume and have a high potential for subsequent processing into more specialized products. In this study, we explore several new pathways that reduce the overall energy consumption and greenhouse gas (GHG) emissions for each product. These pathways include energy efficiency measures applied to existing production methods, the use of bio‐based fuels and/or feedstocks as new production methods, and electrification of high‐energy‐input stages within current production methods. Scenarios for energy demand and GHG reduction were conducted with the National Renewable Energy Laboratory's Materials Flows through Industry tool. Projections of the energy demand and GHG emissions in 2030 and 2050 are included, using grid composition projections from the NREL ReEDS model. The alternative scenarios selected showcase the effect of realistic changes the industry could make, focusing on technologies with a high level of technical readiness.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

libwfa: Wavefunction analysis tools for excited and open‐shell electronic states

Abstract An open‐source software library for wavefunction analysis, libwfa, provides a comprehensive and flexible toolbox for post‐processing excited‐state calculations, featuring a hierarchy of interconnected visual and quantitative analysis methods. These tools afford compact graphical representations of various excited‐state processes, provide detailed insight into electronic structure, and are suitable for automated processing of large data sets. The analysis is based on reduced quantities, such as state and transition density matrices (DMs), and allows one to distill simple molecular orbital pictures of physical phenomena from intricate correlated wavefunctions. The implemented descriptors provide a rigorous link between many‐body wavefunctions and intuitive physical and chemical models, for example, exciton binding, double excitations, orbital relaxation, and polyradical character. A broad range of quantum‐chemical methods is interfaced with libwfa via a uniform interface layer in the form of DMs. This contribution reviews the structure of libwfa and highlights its capabilities by several representative use cases. This article is categorized under: Software > Quantum Chemistry Theoretical and Physical Chemistry > Spectroscopy

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗