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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

In situ X-ray and IR probes relevant to Earth science at the Advanced Light Source at Lawrence Berkeley Laboratory

Access to synchrotron X-ray facilities has become an important aspect for many disciplines in experimental Earth science. This is especially important for studies that rely on probing samples in situ under natural conditions different from the ones found at the surface of the Earth. The non-ambient condition Earth science program at the Advanced Light Source (ALS), Lawrence Berkeley National Laboratory, offers a variety of tools utilizing the infra-red and hard X-ray spectrum that allow Earth scientists to probe Earth and environmental materials at variable conditions of pressure, stress, temperature, atmospheric composition, and humidity. These facilities are important tools for the user community in that they offer not only considerable capacity (non-ambient condition diffraction) but also complementary (IR spectroscopy, microtomography), and in some cases unique (Laue microdiffraction) instruments. The availability of the ALS’ in situ probes to the Earth science community grows especially critical during the ongoing dark time of the Advanced Photon Source in Chicago, which massively reduces available in situ synchrotron user time in North America.

58 GEOSCIENCES↗
DOE OSTI2022

AIMSim : An accessible cheminformatics platform for similarity operations on chemicals datasets

The recent advances in deep learning, generative modeling, and statistical learning have ushered in a renewed interest in traditional cheminformatics tools and methods. Quantifying molecular similarity is essential in molecular generative modeling, exploratory molecular synthesis campaigns, and drug-discovery applications to assess how new molecules differ from existing ones. Further, most tools target advanced users and lack general implementations accessible to the larger community. In this work, we introduce Artificial Intelligence Molecular Similarity (AIMSim), an accessible cheminformatics platform for performing similarity operations on collections of molecules called molecular datasets. AIMSim provides a unified platform to perform similarity-based tasks on molecular datasets, such as diversity quantification, outlier and novelty analysis, clustering, dimensionality reduction, and inter-molecular comparisons. AIMSim implements all major binary similarity metrics and molecular fingerprints and is provided as a Python package that includes support for command-line use as well as a Graphical User Interface for code-free utilization with fully interactive plots.

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

Incorporating energy justice and equity objectives in power system models

Ensuring an equitable energy transition requires models and tools that can account for equity and energy justice goals. Power system models (PSMs) are widely used throughout industry, government, and academia to simulate or optimize the operations and planning of current and future electricity systems under different scenarios, parameter assumptions and policy frameworks. These models are important tools that allow users to understand how the power system may evolve under different future conditions, but importantly, they are also used to inform policy implementation and investment decisions across all aspects of the power system. However, existing models seldom include energy justice considerations and therefore energy justice priorities are not reflected in the policies and other decision-making processes that are informed by these models. The purpose of this review is to provide a framework that energy modelers can draw upon to integrate energy justice and equity goals into PSMs. To this end, 99 papers that examine the intersection of energy justice and power system models are summarized and ten core aspects of the power system that can impact energy justice outcomes, and therefore require new modeling approaches, are identified. This review then establishes key current practices, challenges, and opportunities associated with capturing energy justice considerations in power system models across these ten aspects. This review concludes by proposing four key research directions that should be pursued to improve the representation of energy justice and equity in power system modeling. Finally, this review also addresses challenges raised by United Nations Sustainable Development Goal 7, which aims to ensure affordable energy access to everyone and Sustainable Development Goal 13, which aims to take urgent action to address climate change.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2022

Large scale energy analysis and renovation strategies for social housing in the historic city of Venice

Social houses built after the Second World War to accommodate workers and low-income families represent one of the major energy consumers and greenhouse gas emitters in the residential sector. Plans for their renovation are underway in all European countries, and the process is more complicated for Italian cities due to the lack of space and the large number of historical buildings. This study addresses this challenge by proposing a methodology to renovate a low-income district in the city of Venice using CityBES to model and evaluate energy conservation measures. CityBES is a web-based tool that allows users to employ urban building energy modeling for large-scale energy and retrofit analyses of building stocks. In the case study conducted for Venice's Santa Marta district, due to the particular context, four common energy conservation measures covering both the building envelope and heat generation boilers have been applied. The evaluation of energy-saving performances at the district level showed that the four measures together achieved 67% energy savings, an abatement in energy cost equal to 67%, and annual carbon dioxide emissions reduction of 1.1 MtCO 2 . Furthermore, the case study demonstrates a method and workflow replicable for energy retrofit analysis of building stocks in other historical districts.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Hosting downscaled decision-relevant community data products in ESGF2-US

As regionally-relevant high-resolution Earth system data is increasingly relied upon across scientific, policy, and practitioner communities, there is an urgent need for coordinated and federated infrastructure to store, manage, standardize, and distribute decision-relevant community data products. Substantial effort is required to ensure that these products, which are often critical for regional impact assessments and decision-making, are findable, accessible, interoperable, and reusable. The Earth System Grid Federation US project (ESGF2-US) is addressing this challenge by expanding its open-source, distributed platform to support the hosting and dissemination of downscaled Earth system datasets. This expansion includes aligning new downscaled datasets with developing community standards for metadata and file structure, consistent with existing ESGF archives. This includes ensuring CF-compliance, applying CMORization where appropriate, and developing tools to streamline user access. In this paper, we highlight the technical and coordination work required to bring downscaled data into ESGF2-US and aim to inform the broader Earth system data user community about the growing availability and utility of these curated resources.

ESGF↗
DOE OSTI2020

Genomics-enabled analysis of specialized metabolism in bioenergy crops: Current progress and challenges

Plants produce a staggering diversity of specialized small molecule metabolites that play vital roles in mediating environmental interactions and stress adaptation. This chemical diversity derives from dynamic biosynthetic pathway networks that are often species-specific and operate under tight spatiotemporal and environmental control. A growing divide between demand and environmental challenges in food and bioenergy crop production have intensified research on these complex metabolite networks and their contribution to crop fitness. High-throughput omics technologies provide access to ever-increasing data resources for investigating plant metabolism. However, the efficiency of using such system-wide data to decode the gene and enzyme functions controlling specialized metabolism has remained limited; due largely to the recalcitrance of many plants to genetic approaches and the lack of ‘user-friendly’ biochemical tools for studying the diverse enzyme classes involved in specialized metabolism. With emphasis on terpenoid metabolism in the bioenergy crop switchgrass as an example, this review aims to illustrate current advances and challenges in the application of DNA synthesis and synthetic biology tools for accelerating the functional discovery of genes, enzymes and pathways in plant specialized metabolism. These technologies have accelerated knowledge development on the biosynthesis and physiological roles of diverse metabolite networks across many ecologically and economically important plant species and can provide resources for application to precision breeding and natural product metabolic engineering.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Photon-shot-noise-limited transient absorption soft X-ray spectroscopy at the European XFEL

Femtosecond transient soft X-ray absorption spectroscopy (XAS) is a very promising technique that can be employed at X-ray free-electron lasers (FELs) to investigate out-of-equilibrium dynamics for material and energy research. Here, a dedicated setup for soft X-rays available at the Spectroscopy and Coherent Scattering (SCS) instrument at the European X-ray Free-Electron Laser (European XFEL) is presented. It consists of a beam-splitting off-axis zone plate (BOZ) used in transmission to create three copies of the incoming beam, which are used to measure the transmitted intensity through the excited and unexcited sample, as well as to monitor the incoming intensity. Since these three intensity signals are detected shot by shot and simultaneously, this setup allows normalized shot-by-shot analysis of the transmission. For photon detection, an imaging detector capable of recording up to 800 images at 4.5 MHz frame rate during the FEL burst is employed, and allows a photon-shot-noise-limited sensitivity to be approached. The setup and its capabilities are reviewed as well as the online and offline analysis tools provided to users.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

GraphAide: Advanced Graph-Assisted Query and Reasoning System

Curating knowledge from multiple siloed sources that contain both structured and unstructured data is a major challenge in many real-world applications. Pattern matching and querying represent fundamental tasks in modern data analytics that leverage this curated knowledge. The development of such applications necessitates overcoming several research challenges, including data extraction, named entity recognition, data modeling, and designing query interfaces. Moreover, the explainability of these functionalities is critical for their broader adoption. The emergence of Large Language Models (LLMs) has accelerated the development lifecycle of new capabilities. Nonetheless, there is an ongoing need for domain-specific tools tailored to user activities. The creation of digital assistants has gained considerable traction in recent years, with LLMs offering a promising avenue to develop such assistants utilizing domain-specific knowledge and assumptions. In this context, we introduce an advanced query and reasoning system, GraphAide, which constructs a knowledge graph (KG) from diverse sources and allows to query and reason over the resulting KG. GraphAide harnesses both the KG and LLMs to rapidly develop domain-specific digital assistants. It integrates design patterns from retrieval augmented generation (RAG) and the semantic web to create an agentic LLM application. GraphAide underscores the potential for streamlined and efficient development of specialized digital assistants, thereby enhancing their applicability across various domains.

Purohit, Sumit [BATTELLE (PACIFIC NW LAB)] (ORCID:↗
DOE OSTI2021

Functional Requirements for the WEIS Toolset to Enable Controls Co-Design of Floating Offshore Wind Turbines

The goal of the new Wind Energy with Integrated Servo-control (WEIS) toolset under development is to provide the offshore wind industry and research communities with an open-source, user-friendly, flexible tool to enable true controls co-design (CCD) of the physical design of a floating offshore wind turbine together with the controller. WEIS will use a multifidelity library of models built on the foundations of WISDEM® and OpenFAST formerly known as FAST). This paper presents the WEIS development plan, including the functional requirements of WEIS (including improvements to WISDEM and OpenFAST) together with associated rationale for their establishment and a qualitative description of the modeling approaches that will be implemented to address these functional requirements. The development of WEIS is a project under the Aerodynamic Turbines Lighter and Afloat with Nautical Technologies and Integrated Servo-control program funded by the U.S. Department of Energy Advanced Research Projects Agency – Energy.

27 ARPA - Advanced Research Projects Agency-Energy↗
DOE OSTI2022

COVID-19 Exposure Assessment Tool (CEAT): Exposure quantification based on ventilation, infection prevalence, group characteristics, and behavior

The coronavirus disease 2019 (COVID-19) Exposure Assessment Tool (CEAT) allows users to compare respiratory relative risk to severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) for various scenarios, providing understanding of how combinations of protective measures affect risk. CEAT incorporates mechanistic, stochastic, and epidemiological factors including the (i) emission rate of virus, (ii) viral aerosol degradation and removal, (iii) duration of activity/exposure, (iv) inhalation rates, (v) ventilation rates (indoors/outdoors), (vi) volume of indoor space, (vii) filtration, (viii) mask use and effectiveness, (ix) distance between people (taking into account both near-field and far-field effects of proximity), (x) group size, (xi) current infection rates by variant, (xii) prevalence of infection and immunity in the community, (xiii) vaccination rates, and (xiv) implementation of COVID-19 testing procedures. CEAT applied to published studies of COVID-19 transmission events demonstrates the model’s accuracy. We also show how health and safety professionals at NASA Ames Research Center used CEAT to manage potential risks posed by SARS-CoV-2 exposures.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2020

DEPRECATED EMeRGE (Emerging technologies Management and Risk evaluation on distribution Grids Evolution) [SWR-20-40]

DEPRECATED This repository was archived by the owner on Jun 30, 2026. It is now read-only. EMeRGE (Emerging technologies Management and Risk evaluation on distribution Grids Evolution) is a collection of mini-tools to help users develop openDSS feeder model from GIS (.shp) file and perform risk analysis at various PV scenarios and visulize results in an interactive dashboard made using Dash.

Duwadi, Kapil↗
DOE OSTI2020

Peak Map

Peak Map is a software tool that allows users to generate nuclide library files for gamma spectroscopy from a nuclear data reference. SAND2019-15220 M 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.

Leonard, Elliott↗
DOE OSTI2020

Neurodata Extensions Catalog (NDX Catalog) v1.0.0

The Neurodata Extensions Catalog (NDX Catalog) is a novel web archive and associated software tools that enable users to easily create, search for, test, review, and install extensions to the Neurodata Without Borders (NWB) data standard for neurophysiology. The Catalog consists of several software repositories that can be found at https://github.com/nwb-extensions.

Tritt, Andrew↗
DOE OSTI2021

NRWAL (NLR formerly known as NREL Wind Analysis Library) [SWR-21-26]

NRWAL (NLR (National Laboratory of the Rockies) formerly known as NREL (National Renewable Energy Laboratory) Wind Analysis Library: A library of offshore wind cost equations (plus new energy technologies like marine hydro!) Easy equation manipulation without editing source code Full continental-scale integration with the NREL Renewable Energy Potential Model (reV) https://nrel.github.io/reV/ Ready-to-use configs for basic users Dynamic python tools for intuitive equation handling One seriously badass sea unicorn To get started with NRWAL, check out the NRWAL Config documentation or the NRWAL example notebook. You can also launch the notebook in an interactive jupyter shell right in your browser without any downloads or software using binder. Ready to build a model with NRWAL but don't want to contribute to the library? No problem! Check out the example getting started project here. Here is the important stuff: The NRWAL Equation Library. Default NRWAL Configs

Nunemaker, Jacob↗
DOE OSTI2023

WhatsCracking [SWR-23-03]

WhatsCracking can accurately predict cell fracture in crystalline silicon PV modules. The probability of PV module cell fracture is determined by a complicated interrelationship of module architecture, materials, and loading. WhatsCracking is a Finite Element Method tool which enables users to assess how module design impacts the propensity for cell fracture.

Deceglie, Michael↗
DOE OSTI2024

T3CO (Transportation Technology Total Cost of Ownership) Open Source [SWR-21-54]

T3CO (Transportation Technology Total Cost of Ownership), is open source software for modeling total cost of ownership for commercial vehicles with advanced powertrains. T3CO is a modeling framework for determining geospatially and temporally optimized total cost of ownership (TCO) for vehicle powertrain technologies. T3CO runs NREL's FASTSim™ software for a representative set of operating conditions to minimize TCO based on vehicle parameters that affect purchase and operating costs (e.g., fuel/electricity consumption, asset depreciation, opportunity costs associated with charging time) while simultaneously ensuring that firm performance constraints (e.g. zero-to-sixty time, gradeability) are satisfied. T3CO will enable the user to control which powertrain parameters are used in optimizing TCO, and these parameters will be modified by a multi-objective optimization (MOO) algorithm to identify a Pareto-optimal solution set. The optimization algorithm will be modular so that users can choose from many different MOO options or insert their own user-defined optimization tool. NREL T3CO Homepage: https://www.nrel.gov/transportation/t3co.html PyPI package: https://pypi.org/project/t3co/

Lustbader, Jason↗
DOE OSTI2025

Integrase-on-Demand

SAND2025-07449O Integrase-on-Demand is a software tool that allows users to identify regions in genomic sequences where genetic material can be integrated with high probability. It uses a database of integrases and their DNA attachment sites to search against any genomic sequence, producing a list of open sites, the integrase sequence, and the source of the genomic island. The program requires MASH software to be available on the system. It consists of a main script and a precomputed input file, with a taxonomy mode that searches closely related genomes and a search mode that looks for identical attachment site matches in the integrase/attachment input file. 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.

Williams, Kelly [Sandia National Lab. (SNL-CA), Li↗