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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Understanding Building Energy Use in the Columbus-Albany Area: Basic Building Stock Characterization

This report is part of a publication series that focuses on approximately 100 different local geographies, or "clusters." Each report provides commercial and multifamily building characteristic and energy data for a local geography, with the intention of helping policymakers at the city, county and state levels better understand building energy use. Specifically, this report breaks down the building stock in the counties shown in Figure 1 by building type, size, energy consumption, and emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

Photocatalytic water splitting for large-scale solar-to-chemical energy conversion and storage

Sunlight-driven water splitting allows renewable hydrogen to be produced from abundant and environmentally benign water. Large-scale societal implementation of this green fuel production technology within energy generation systems is essential for the establishment of sustainable future societies. Among various technologies, photocatalytic water splitting using particulate semiconductors has attracted increasing attention as a method to produce large amounts of green fuels at low cost. The key to making this technology practical is the development of photocatalysts capable of splitting water with high solar-to-fuel energy conversion efficiency. Furthermore, advances that enable the deployment of water-splitting photocatalysts over large areas are necessary, as is the ability to recover hydrogen safely and efficiently from the produced oxyhydrogen gas. This lead article describes the key discoveries and recent research trends in photosynthesis using particulate semiconductors and photocatalyst sheets for overall water splitting, via one-step excitation and two-step excitation (Z-scheme reactions), as well as for direct conversion of carbon dioxide into renewable fuels using water as an electron donor. We describe the latest advances in solar water-splitting and carbon dioxide reduction systems and pathways to improve their future performance, together with challenges and solutions in their practical application and scalability, including the fixation of particulate photocatalysts, hydrogen recovery, safety design of reactor systems, and approaches to separately generate hydrogen and oxygen from water.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

A New Method for Creating Structured High-Performance Current Collectors for Electrochemical Applications

A significant challenge in many electrochemical systems is finding a stable, high-performing current collector material that is mechanically robust, adaptable in form factor, and free of precious metals. Titanium electrodes are robust in many of these regards but exhibit poor charge transfer performance due to self-passivation. Herein, a new materials processing paradigm based on the titanium/titanium nitride (Ti/TiN) system which allows for robust, stable, and low-resistance current collectors of arbitrary form factor is presented. Specifically, a gas-nitriding process for 3D-printed titanium electrodes that results in a 20-fold improvement of charge transfer characteristics relative to the untreated material is outlined. The ability to utilize 3D-structured current collectors with a net 40-fold improvement in performance over nonstructured electrodes is further demonstrated. This novel approach to creating electrochemical current collectors requires minimal laboratory resources and can be widely adapted for a variety of applications, including desalination, electrolysis, energy storage, and basic research. In conclusion, the work described herein provides both a means for accelerating research and opens the door to hierarchical tuneability for enhanced performance.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Thermal exchange-correlation functionals: Capturing quantum electron behavior in warm, dense plasmas

We summarize and give perspective upon recent progress in developing non-empirical constraint-based thermal (i.e., free energy) exchange-correlation (XC) density functionals essential for accurate description of the quantum behavior of electrons in warm, dense plasmas. After delineating the critical role of ground-state functionals for zero-temperature, time-dependent DFT, we outline the underpinnings of local density approximation, generalized gradient approximation (GGA), and meta-GGA XC free-energy functionals. Two basic thermalization principles for upgrading ground-state XC functionals to successful thermal ones are emphasized. Then, we turn to a long-standing challenge, assessment of the accuracy of well-founded functionals. Unlike the ground state, there are a few exact results for large T and P. An exception is path integral Monte Carlo (PIMC) data for dense H/D and He plasmas. For those, we did ab initio molecular dynamics simulations under selected thermodynamic conditions employing five thermal XC functionals: two approximate thermal GGAs, fully thermal GGA, an approximate meta-GGA, and fully thermal meta-GGA. Comparisons with the PIMC data show that functionals thermalized by augmenting a non-thermal functional with a lower-level thermal contribution are inferior to functionals with thermal XC and spatial inhomogeneity effects taken into account at the same level of refinement. We believe this and similar evidence should be convincing to the high-energy density physics community of the necessity of use of proper thermal XC functionals in simulation studies of finite-temperature quantum effects in warm, dense plasmas.

Ab-initio molecular dynamics↗
DOE OSTI2025

Screening green solvents for multilayer plastic film recycling processes

Multilayer (ML) plastic films are essential packaging materials that help protect products from diverse external factors; however, only 5% of all ML films are recycled in the United States. Solvent-based technologies are a promising alternative for recycling ML films because they enable recovery of constituent polymer resins. For example, the Solvent Targeted Recovery and Precipitation (STRAPTM) process sequentially dissolves and separates polymer components using a series of targeted solvent washes. A crucial design aspect of this process is the impact of selected solvents on human health and on the environment. Here, this work introduces a computational framework that integrates molecular modeling, process modeling, techno-economic analysis (TEA), and life-cycle analysis (LCA) to quickly screen green solvents for solvent-based ML recycling processes. Initial screening for solvents based on selectivity is performed by estimating temperature-dependent solubilities using molecular-scale models. Subsequent screening uses basic estimates of energy use and octanol-water partition coefficients (logP) as key measures of health, safety, and environmental hazards. Detailed process modeling, TEA, and LCA are used on a reduced set of promising solvents identified in early screening steps to more accurately determine how solvent selection and associated operating conditions impact overall economics and environmental impacts. The framework is used for the identification of green solvents (from a database of 1,000 solvents) that separate an industrial ML film composed of polyethylene (PE), ethylene vinyl alcohol (EVOH), and polyethylene terephthalate (PET). Our analysis shows the effectiveness of the framework and reveals fundamental trade-offs between solvent greenness, solubility, and economics. Our work emphasizes the importance of taking a holistic systems view during solvent design and aims to inform the development of new processes for ML film recycling and the identification of new ML films that are easier to recycle.

economics↗
DOE OSTI2021

Microscopic calculation of fission product yields with particle-number projection

Fission fragments' charge and mass distribution is an important input to applications ranging from basic science to energy production or nuclear nonproliferation. In simulations of nucleosynthesis or calculations of superheavy elements, these quantities must be computed from models, as they are needed in nuclei where no experimental information is available. Until now, standard techniques to estimate these distributions were not capable of accounting for fine-structure effects, such as the odd-even staggering of the charge distributions. In this work, we combine a fully microscopic collective model of fission dynamics with a recent extension of the particle number projection formalism to provide the highest-fidelity prediction of the primary fission fragment distributions for the neutron-induced fission of 235 U and 239 Pu. Here, we show that particle-number projection is an essential ingredient to reproduce odd-even staggering in the charge yields and benchmark the performance of various empirical probability laws that could simulate its effect. This new approach also enables for the first time the realistic determination of two-dimensional isotopic yields within nuclear density functional theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Exceedance Response Action (ERA) Level 2 (Technical Report)

The Sandia National Laboratories, California (SNL/CA) site comprises approximately 410 acres and is located in the eastern portion of Livermore, Alameda County, California. The property is owned by the United States Department of Energy/National Nuclear Security Administration (DOE/NNSA) and is being managed and operated by National Technology & Engineering Solutions of Sandia, LLC (NTESS). Operations at the SNL/CA facility consist of DOE statutory responsibilities for nuclear weapon research and design, development of energy technologies, and basic scientific research. Specific industrial activities occur in discrete buildings and include electroplating or anodizing, machine shop, permitted hazardous waste treatment, storage and disposal facility (TSDF), and a scrap yard.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Theoretical investigation of surface chemical reactivity of compositionally disordered multi-metallic alloys

Alloys are widely used in both academic and industrial research as heterogeneous catalysts for accelerating technologically important reactions ranging from hydrocarbon reforming, selective hydrogenation, to electrochemical reactions involving hydrogen and oxygen that are fundamental and indispensable to a sustainable future energy infrastructure. Most basic catalysis research has been limited to combinations of two elements that are usually ordered in some manner at the nanoscale because doing so allows observable results to be easily rationalized. It however leaves a huge material space consisting of multi metallic, compositionally disordered alloys unexplored. This research demonstrates a viable theoretical approach combining different types of first principles calculations (including Green’s function-based Korringa–Kohn–Rostoker coherent potential approximation (KKR–CPA) and planewave-based density functional theory) to enable the surface chemical reactivity of compositionally complex alloy surfaces to be investigated. We demonstrate the approach by investigating hydrogen adsorption and evolution on two types of compositionally disordered alloys: a quaternary CoCrFeNi high-entropy alloy, and binary Pt-3d base metal alloys.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Exceedance Response Action (ERA) Level 2 Technical Report Update

The Sandia National Laboratories, California (SNL/CA) site comprises approximately 410 acres and is located in the eastern portion of Livermore, Alameda County, California. The property is owned by the United States Department of Energy/National Nuclear Security Administration (DOE/NNSA) and is being managed and operated by National Technology & Engineering Solutions of Sandia, LLC (NTESS). Operations at the SNL/CA facility consist of DOE statutory responsibilities for nuclear weapon research and design, development of energy technologies, and basic scientific research. Specific industrial activities occur in discrete buildings and include electroplating or anodizing, machine shop, permitted hazardous waste treatment, storage and disposal facility (TSDF), and a scrap yard. This report provides an update to the ERA Level 2 Technical Report Update previously submitted in June 2022 (2022 ERA L2 Technical Report Update) for iron, aluminum, and pH. In accordance with the California’s General Permit for Discharges of Storm Water Associated with Industrial Activities (IGP) Section XII.D.3.c, an ERA Level 2 Technical Report update is to be submitted with the annual report when a facility utilizing an Industrial Activity Best Management Practice (BMP) Demonstration (IABMPD) experiences additional exceedances of the numeric action levels.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

The Lab-Embedded Entrepreneurship Program (LEEP)

Addressing climate change, sustainability, and social justice cannot be based solely on deployment of existing technologies. New innovations, derived from massive U.S. investments in basic and applied energy research at universities and the national labs, are critically needed to achieve net-zero carbon missions by 2050.

LEEP, Chain Reaction Innovations, Innovation Cross↗
DOE OSTI2023

Understanding Building Energy Use in Northwestern PA, Ashtabulam, and Chautauqua Counties: Basic Building Stock Characterization

This report is part of a publication series that focuses on approximately 100 different local geographies, or "clusters." Each report provides commercial and multifamily building characteristic and energy data for a local geography, with the intention of helping policymakers at the city, county and state levels better understand building energy use. Specifically, this report breaks down the building stock in the counties shown in Figure 1 by building type, size, energy consumption, and emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Understanding Building Energy Use in Rural Lower Midwest and High Plains: Basic Building Stock Characterization

This report is part of a publication series that focuses on approximately 100 different local geographies, or "clusters." Each report provides commercial and multifamily building characteristic and energy data for a local geography, with the intention of helping policymakers at the city, county and state levels better understand building energy use. Specifically, this report breaks down the building stock in the counties shown in Figure 1 by building type, size, energy consumption, and emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Understanding Building Energy Use in the Albuquerque-Santa Fe Area: Basic Building Stock Characterization

This report is part of a publication series that focuses on approximately 100 different local geographies, or "clusters." Each report provides commercial and multifamily building characteristic and energy data for a local geography, with the intention of helping policymakers at the city, county and state levels better understand building energy use. Specifically, this report breaks down the building stock in the counties shown in Figure 1 by building type, size, energy consumption, and emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Understanding Building Energy Use in the Washington, D.C. to Philadelphia Area: Basic Building Stock Characterization

This report is part of a publication series that focuses on approximately 100 different local geographies, or "clusters." Each report provides commercial and multifamily building characteristic and energy data for a local geography, with the intention of helping policymakers at the city, county and state levels better understand building energy use. Specifically, this report breaks down the building stock in the counties shown in Figure 1 by building type, size, energy consumption, and emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Understanding Building Energy Use in Rural North and South Carolina Counties: Basic Building Stock Characterization

This report is part of a publication series that focuses on approximately 100 different local geographies, or "clusters." Each report provides commercial and multifamily building characteristic and energy data for a local geography, with the intention of helping policymakers at the city, county and state levels better understand building energy use. Specifically, this report breaks down the building stock in the counties shown in Figure 1 by building type, size, energy consumption, and emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Understanding Building Energy Use in the Greater Atlanta and Macon Area: Basic Building Stock Characterization

This report is part of a publication series that focuses on approximately 100 different local geographies, or "clusters." Each report provides commercial and multifamily building characteristic and energy data for a local geography, with the intention of helping policymakers at the city, county and state levels better understand building energy use. Specifically, this report breaks down the building stock in the counties shown in Figure 1 by building type, size, energy consumption, and emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Understanding Building Energy Use in the Greater New York City Area: Basic Building Stock Characterization

This report is part of a publication series that focuses on approximately 100 different local geographies, or "clusters." Each report provides commercial and multifamily building characteristic and energy data for a local geography, with the intention of helping policymakers at the city, county and state levels better understand building energy use. Specifically, this report breaks down the building stock in the counties shown in Figure 1 by building type, size, energy consumption, and emissions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗