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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Multiphase tin equation of state using density functional theory

In this work, we perform density functional theory (DFT) calculations of five solid phases and the liquid phase of tin. The calculations include cold curves of the five solid phases, phonon calculations in the quasiharmonic approximation over a range of volumes for each solid phase, and DFT-based molecular dynamics (DFT-MD) simulations of the liquid phase, including those of the melt curve using the Z method. Using the DFT results, we construct a tabular multiphase sesame equation of state for tin, referred to as sesame 2162. Comparisons to experimental data are made and show a high level of agreement in isobaric data, isothermal data, shock data, and phase boundary measurements, including measurements of the melt curve. The 2162 EOS will be useful for hydrodynamics simulations and has been designed with an eye toward hydrodynamics simulations that incorporate materials strength models and allow for modeling of the kinetics of phase transitions.

3-dimensional systems↗
DOE OSTI2021

Equivalence principle in Reissner–Nordström geometry

The Equivalence Principle is a key element in the development of General Relativity. In one of its formulations, the Equivalence Principle states that a reference frame at rest in a uniform gravitational field is equivalent to a reference frame in uniformly accelerated motion in the absence of any gravitation field. We analyze the spacetime surrounding a non-rotating spherically symmetric charged body, known as Reissner–Nordström geometry, and exhibit a coordinate transformation, which makes explicit its compatibility with the Equivalence Principle. We revisit the Schwarzschild case, previously analyzed in the literature. We also consider second order terms of the relevant expansion parameters in the approximate metric, which is needed for the computed curvature quantities to be correct at zeroth order.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Cost Analysis of Annual and Monthly Net Zero Energy Performance for Multifamily Buildings in the United States

As the United States continues its progress toward sustainable construction, net zero building design is becoming an increasingly important and popular topic. Two definitions of net zero energy performance, monthly and annual, provide different levels of energy autonomy and efficiency within a building. This article analyzes the viability and incremental cost for two-, three-, and four-story multifamily apartment buildings to reach both annual and monthly net zero energy performance throughout four climate zones in the United States using baseline reference buildings that represent current construction practices. Building size plays a large role in determining the capability for a building model to reach annual or monthly net zero. Two-story buildings are capable of reaching annual net zero with an increase in construction cost of about 4.4–5.6%. Three-story buildings in warmer climates can achieve annual net zero with an increase of about 5.1%, but models in colder climates cannot reach annual net zero performance. Four-story buildings cannot achieve net zero, owing to insufficient building area for solar arrays to produce electricity. Monthly net zero energy performance was significantly harder to achieve, with the only case reaching this goal being the two-story Houston based model, at an added cost of 8.2%. Generally speaking, only small buildings in warm climates will be able to achieve monthly net zero without vastly oversizing photovoltaic systems and increasing costs without adequate payback.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Locating the Source of Forced Oscillations in Transmission Power Grids

A forced oscillation event in power grids refers to a state where malfunctioning or abnormally operating equipment causes persisting periodic disturbances in the system. While power grids are designed to damp most perturbations during standard operations, some of them can excite normal modes of the system and cause significant energy transfers across the system, creating large oscillations thousands of miles away from the source. Localization of the source of such disturbances remains an outstanding challenge due to a limited knowledge of the system parameters outside of the zone of responsibility of system operators. Here, we propose a new method for locating the source of forced oscillations that addresses this challenge by performing a simultaneous dynamic model identification using a principled maximum likelihood approach. We illustrate the validity of the algorithm on a variety of examples where forcing leads to resonance conditions in the system dynamics. Our results establish that an accurate knowledge of system parameters is not required for a successful inference of the source and frequency of a forced oscillation. We anticipate that our method will find a broader application in general dynamical systems that can be well described by their linearized dynamics over short periods of time.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

High-sensitivity nanoscale chemical imaging with hard x-ray nano-XANES

Resolving chemical species at the nanoscale is of paramount importance to many scientific and technological developments across a broad spectrum of disciplines. Hard x-rays with excellent penetration power and high chemical sensitivity are suitable for speciation of heterogeneous (thick) materials. Here, we report nanoscale chemical speciation by combining scanning nanoprobe and fluorescence-yield x-ray absorption near-edge structure (nano-XANES). First, the resolving power of nano-XANES was demonstrated by mapping Fe(0) and Fe(III) states of a reference sample composed of stainless steel and hematite nanoparticles with 50-nm scanning steps. Nano-XANES was then used to study the trace secondary phases in lithium iron phosphate (LFP) particles. We observed individual Fe-phosphide nanoparticles in pristine LFP, whereas partially (de)lithiated particles showed Fe-phosphide nanonetworks. These findings shed light on the contradictory reports on Fe-phosphide morphology in the literature. Nano-XANES bridges the capability gap of spectromicroscopy methods and provides exciting research opportunities across multiple disciplines.

25 ENERGY STORAGE↗
DOE OSTI2022

SECARB-USA: Preliminary Regional Commercialization Plan (Task 4.4.a)

The SECARB-USA region refers to the states in the southeastern portion of the United States including Alabama, Arkansas, Florida, Georgia, Kentucky, Louisiana, Mississippi, Missouri, North Carolina, eastern Oklahoma, South Carolina, Tennessee, eastern Texas, Virginia, and West Virginia. This region is a hub for economic activity and accordingly emits almost 1 Gtpa of CO 2 which is the motivation for the development of Carbon Capture and Storage (CCS). This preliminary commercialization plan reviews the status of commercialization of CCS within the region, outlines the infrastructure buildout to achieve CO 2 reduction goals by 2050 described by the Los Alamos National Lab in Task 4.1.b (see the Task 4.1.b “Technoeconomic Analysis of Infrastructure Buildout Scenarios” report), and provides an early estimate of the economic activity and employment creation resulting from the increase in CCS activity. Additionally, this report addresses the challenges associated with commercializing CCS within the region at a large scale.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Simulating Effective QED on Quantum Computers

In recent years simulations of chemistry and condensed materials has emerged as one of the preeminent applications of quantum computing, offering an exponential speedup for the solution of the electronic structure for certain strongly correlated electronic systems. To date, most treatments have ignored the question of whether relativistic effects, which are described most generally by quantum electrodynamics (QED), can also be simulated on a quantum computer in polynomial time. Here we show that effective QED, which is equivalent to QED to second order in perturbation theory, can be simulated in polynomial time under reasonable assumptions while properly treating all four components of the wavefunction of the fermionic field. In particular, we provide a detailed analysis of such simulations in position and momentum basis using Trotter-Suzuki formulas. We find that the number of T -gates needed to perform such simulations on a 3 D lattice of n s sites scales at worst as O ( n s 3 / ϵ ) 1 + o ( 1 ) in the thermodynamic limit for position basis simulations and O ( n s 4 + 2 / 3 / ϵ ) 1 + o ( 1 ) in momentum basis. We also find that qubitization scales slightly better with a worst case scaling of O ~ ( n s 2 + 2 / 3 / ϵ ) for lattice eQED and complications in the prepare circuit leads to a slightly worse scaling in momentum basis of O ~ ( n s 5 + 2 / 3 / ϵ ) . We further provide concrete gate counts for simulating a relativistic version of the uniform electron gas that show challenging problems can be simulated using fewer than 10 13 non-Clifford operations and also provide a detailed discussion of how to prepare multi-reference configuration interaction states in effective QED which can provide a reasonable initial guess for the ground state. Finally, we estimate the planewave cutoffs needed to accurately simulate heavy elements such as gold.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

RELAP5-3D Modeling of High Temperature Test Facility (HTTF)

HTTF at Oregon State University (OSU) Reference: General Atomics? modular high-temperature gas-cooled reactor Helium cooled, electrically heated Prismatic graphite blocks in the core and reflectors Alumina ceramic blocks are used to simulate the core and top and bottom reflectors One-fourth scale in length and diameter Most of the coolant channels in the core are full scale Lower pressure compared to the prototype reactor Over 500 instruments Designed primarily to investigate depressurized conduction cooldown (DCC) transients

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

RELAP5-3D Modeling of the OECD-NEA HTTF Benchmark

HTTF at Oregon State University (OSU) Reference: General Atomics’ modular high-temperature gas-cooled reactor Helium cooled, electrically heated (2.2 MW) Prismatic graphite blocks in the core and reflectors Alumina ceramic blocks are used to simulate the core and top and bottom reflectors One-fourth scale in length and diameter Most of the coolant channels in the core are full scale Lower pressure compared to the prototype reactor (0.7 MPa) Over 500 instruments Designed primarily to investigate depressurized (DCC) and pressurized (PCC) conduction cooldown transients

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Metocean Reference Station Best Practices: MORS-1 Case Study

The goal of a Metocean Reference Station should be to aid both near-term development of the offshore wind energy industry as well as long-term climate and energy research. Capitalizing on existing shared-use facilities wherever possible, reference stations should provide data valued by industry users as well as research users in a cost-effective way. Cost-effectiveness is a critical component of developing a reference site, as the real value of the site's data collection efforts is the length of the time series it is able to sustain. This report seeks to lay out the best practices toward developing and maintaining metocean reference stations in the United States. The best practices described here focus on suitable platforms, sensor integration, and long-term operations of the reference station itself, as best practices of operations for individual sensors for the research community or validation enterprises focused on industrial use of metocean data are well described in the literature. This work focuses on potential stations in the United States because the market for reference data and validation facilities is less well defined in the United States, given the young age of the rapidly emerging offshore wind energy industry here.

17 WIND ENERGY↗
DOE OSTI2020

Interference of chiral Andreev edge states

The search for topological excitations such as Majorana fermions has spurred interest in the boundaries between distinct quantum states. Here, we explore an interface between two prototypical phases of electrons with conceptually different ground states: the integer quantum Hall insulator and the s-wave superconductor. We find clear signatures of hybridized electron and hole states similar to chiral Majorana fermions, to which we refer as chiral Andreev edge states (CAES). They propagate along the interface in the direction determined by magnetic field and their interference can turn an incoming electron into an outgoing electron or a hole, depending on the phase accumulated by the CAES along their path. Our results demonstrate that these excitations can propagate and interfere over a significant length, opening future possibilities for their coherent manipulation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Can a Nuclear-Assisted Biofuels System Enable Liquid Biofuels as the Economic Low-carbon Replacement for All Liquid Fossil Fuels and Hydrocarbon Feedstocks and Enable Negative Carbon Emissions?

This report integrates the results of a series of studies and workshops to address the question: Can a nuclear-assisted biofuels system enable liquid biofuels as the economic low-carbon replacement for all liquid fossil fuels and hydrocarbon feedstocks and simultaneously enable negative carbon emissions? “Economic” is defined as economically competitive relative to other low-carbon replacement options for crude oil. “All” refers to the capability to replace the 18 million barrels of oil per day used by the United States. “Nuclear-assisted” refers to the provision of massive quantities of low-carbon heat and hydrogen at the refinery to fully utilize the carbon content of the cellulosic biomass feedstocks for liquid hydrocarbon production. A system is proposed that decarbonizes about half of the U.S. economy while improving long-term soil productivity and sequestering carbon from the atmosphere. In the U.S. almost half the energy consumed by the final customer is in the form of liquid hydrocarbons produced from crude oil. Liquid hydrocarbons are used as (1) an energy source, (2) a method for daily-to-seasonal energy storage, (3) a chemical feedstock, (4) a chemical reducing agent, (5) a method to enhance high-temperature heat transfer in many furnaces and industrial processes and (6) other purposes. As a consequence, the U.S. consumes ~18 million barrels of crude oil per day to produce liquid hydrocarbons. While there are substitutes for liquid hydrocarbons for some applications, our assessment is that the costs and difficulty will dramatically increase if liquid hydrocarbon use goes much below the equivalent of 10 million barrels per day of crude oil. New uses of liquid hydrocarbons to partly replace coal and natural gas could increase demand beyond the equivalent of 10 million barrels of oil per day. One can produce and burn liquid hydrocarbons from biomass without any net addition of carbon dioxide to the atmosphere. Plants grow by removing carbon dioxide from the atmosphere; thus, burning biomass does not result in any net addition of carbon dioxide to the atmosphere. Biomass is typically 40% oxygen. To remove this oxygen to create hydrocarbon liquids, there are two options. The first option is to use biomass as (1) a feedstock, (2) an energy source to operate the process and (3) a supply of carbon to remove the biomass oxygen as carbon dioxide. The second option is to use external heat and hydrogen to remove the oxygen as water and produce liquid hydrocarbons. The use of massive quantities of external heat and hydrogen for hydrocarbon liquid fuels production reduces the biomass feedstock per unit of liquid hydrocarbon product by more than a factor of two reducing land use by more than a factor of two. Many cellulosic feedstocks unsuitable for liquid hydrocarbon production are viable feedstocks with external heat and hydrogen inputs. As a result, there is sufficient cellulosic feedstocks to meet U.S. and global liquid fuels hydrocarbon demand without significant impacts on food and fiber prices. The heat and hydrogen (heat plus electricity) are produced using base-load nuclear power plants—the most economic form of nuclear energy. If low-price natural gas, there is also the option of producing hydrogen from natural gas with sequestration of the carbon dioxide. The biomass is locally processed in depots to produce commodity feedstocks that can be shipped long distances to large biorefineries (250,000 barrels per day, oil equivalent) similar to existing refineries except modifications of front-end processes. The depot system enables local recycle of nutrients back to the soil. The biorefinery can produce variable quantities of liquid hydrocarbon fuels and carbon dioxide for sequestration enabling removal of carbon dioxide from the atmosphere. Preliminary estimates are that the liquid hydrocarbon costs are equivalent to crude oil at between $60 and $70 per barrel. The largest cost is for hydrogen with biomass feedstocks and refinery costs a smaller fraction of the total cost.

09 BIOMASS FUELS↗
DOE OSTI2024

Partially celestial states and their scattering amplitudes

We study representations of the Poincaré group that have a privileged transformation law along a p -dimensional hyperplane, and uncover their associated spinor-helicity variables in D spacetime dimensions. Our novel representations generalize the recently introduced celestial states and transform as conformal primaries of S O ( p , 1 ) , the symmetry group of the p -hyperplane. We will refer to our generalized states as “partially celestial.” Following Wigner’s method, we find the induced representations, including spin degrees of freedom. Defining generalized spinor-helicity variables for every D and p , we are able to construct the little group covariant part of partially celestial amplitudes. Finally, we briefly examine the application of the pairwise little group to partially celestial states with mutually nonlocal charges. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2021

The evolving role of geothermal energy for decarbonizing the United States

Geothermal energy is often referred to as a niche technology that is too localized, too small or too expensive to make much of a difference in how renewable energy will be supplied in a fully decarbonized future. As a result, geothermal energy has been undervalued in terms of what it could provide to complement, rather than compete with, electricity generation from wind, solar photovoltaic, concentrating solar power and other renewables. Geothermal energy systems are fully dispatchable and can provide baseload or load-following electric power or heat suitable for a wide range of applications including supplying district heating for communities and cities, and heating and cooling of individual buildings. The focus of our study is on the potential of utilizing geothermal energy for providing heat for buildings and industry at lower temperatures, a substitute for the combustion of fossil fuels. Because heating represents about 20% (20 EJ per year) of the annual primary energy consumption in the U.S.—with most of it coming from burning natural gas, oil and/or propane in furnaces—deploying geothermal heating on a national scale could have a significant impact on lowering carbon emissions. In heating-dominated states in the U.S. Northern Tier, heating often is among the largest contributors to the state's carbon footprint. This review begins with a discussion of the motivation and rationale behind considering geothermal as a key low-carbon heating option for the U.S. The study summarizes the U.S. geothermal resource and describes the applications and main engineering components of using geothermal energy for heating and cooling, electric power generation, and co-generation using district heating, geothermal heat pumps, and power conversion with steam flashing and organic Rankine plants. Environmental benefits and impacts are described. An extensive discussion of geologic and thermal-hydraulic aspects of the subsurface is included in the review because of their critical role in determining reservoir designs at specific sites to ensure sufficient productivity that is both safe and economically viable. Models for estimating levelized costs of district heating are used to show how costs are affected by reservoir performance, infrastructure capital costs, and financial parameters. Here, the review concludes with an assessment of technical subsurface issues associated with reservoir performance and the economic requirements for providing geothermal heating in district heating systems at a sufficient scale to have an impact on decarbonizing the U.S.

15 GEOTHERMAL ENERGY↗
DOE OSTI2026

Genomic analysis of Klebsiella aerogenes circulating in New Mexico

Klebsiella aerogenes is an opportunistic pathogen and a growing cause of healthcare-associated infections, characterized by multidrug resistance and the emergence of global high-risk clones. However, regional genomic surveillance data remain limited. Here, we sought to characterize the population structure, transmission dynamics and resistance mechanisms of clinical K. aerogenes in Albuquerque, New Mexico. We sequenced 177 clinical isolates collected between 2021 and 2023. We also developed a novel, species-specific PopPUNK database to facilitate rapid, high-resolution typing. The New Mexico K. aerogenes population was diverse but dominated by two global pandemic lineages, ST93 (47.5%) and ST4 (7.9%), which were significantly enriched for the virulence factors yersiniabactin and colibactin. Genomic evidence for recent local transmission was rare, with only four putative transmission pairs identified. The resistome was characterized by intrinsic and adaptive mutations. Nearly all isolates possessed gyrA mutations associated with decreased fluoroquinolone susceptibility. Mutations in the AmpC regulator AmpD and the outer membrane porin Omp36 were common, particularly within the dominant ST93 lineage. These mutations have been associated with increased AmpC-mediated carbapenem resistance. Our findings underscore the critical importance of genomic surveillance to monitor the transmission and evolution of adaptive resistance.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Excited-state downfolding using ground-state formalisms

Downfolding coupled cluster (CC) techniques are powerful tools for reducing the dimensionality of many-body quantum problems. This work investigates how ground-state downfolding formalisms can target excited states using non-Aufbau reference determinants, paving the way for applications of quantum computing in excited-state chemistry. This study focuses on doubly excited states for which canonical equation-of-motion CC approaches struggle to describe unless one includes higher-than-double excitations. The downfolding technique results in state-specific effective Hamiltonians that, when diagonalized in their respective active spaces, provide ground- and excited-state total energies (and therefore excitation energies) comparable to high-level CC methods. The performance of this procedure is examined with doubly excited states of H 2 , Methylene, Formaldehyde, and Nitroxyl.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Workshop Report: Rural Electric Cooperative Distributed Energy Resource Business Model Development Workshops

The United States' energy future is being shaped by decades of technology innovation, rapidly changing consumer requirements, and governmental focus on securing reliable, low-cost energy sources. With expanded electrification and increased emphasis on grid reliability coupled with the heightened complexity and risks associated with transmission infrastructure, the use of distributed energy resources (DERs) is more commonly being considered a safe, efficient, and cost-effective way to maintain grid resilience and reliability. Amidst improvements in performance, decreasing costs, and unprecedented federal policy support for DERs, electric cooperatives are considering new opportunities to use these assets to ensure secure and reliable operations for millions of customers. In light of these developments, a series of workshops were held to collaborate on the development of business models for DERs in rural electric cooperative ecosystems. The first workshop was held July 11, 2024, at the Tri-State Generation and Transmission Association Inc. headquarters in Westminster, Colorado (hereafter referred to as the "Tri-State Workshop"). The second workshop was hosted by PNGC Power on Oct. 9, 2024, in Portland, Oregon (hereafter referred to as the "PNGC Power Workshop"). These workshops convened representatives from G&Ts, distribution cooperatives,2 the energy industry, the financial community, the U.S. government, national and regional organizations, and national laboratories to share perspectives on the unique needs, challenges, and opportunities that they face as DERs are further integrated into the grid. The workshops were designed to address the following objectives: (1) develop the enabling attributes of electric cooperative DER business models, (2) explore pathways for generating community benefits from these assets, and (3) identify technical challenges and market risks for DERs in rural electric cooperative service territories. This report outlines key findings and major themes identified by workshop participants that federal agencies, G&Ts, distribution cooperatives, and other entities can consider to advance electric cooperative DER business models.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Highly Resolved Reference Projections of Building Energy Use for the Contiguous United States: Building Sector Energy Baselines, Projection Methods, and Results

This report describes one methodology of projecting energy consumption of the US residential and commercial building sectors using NREL's ResStock™ and ComStock™ as well as growth rates derived from EIA's Annual Energy Outlook (AEO). The impetus for this work is to provide an intermediate method for compiling demand-side sectoral energy projections that is suitable for grid-scale analysis, such as NREL's Standard Scenarios. ResStock and ComStock are physics-based and statistically representative building stock models of the US residential and commercial sector, respectively. Using the 2012 actual meteorological year (AMY) weather data, the sectoral energy baselines are simulated and then segmented along key dimensions (e.g., geography, dwelling/building type). The segmented results are then scaled using the corresponding annual growth rates derived from the 2021 AEO reference case to produce energy projections out to 2050. The compiled result is a demand-side grid model (dsgrid) data set suitable for use in NREL's large-scale grid models, such as the Regional Energy Deployment System (ReEDS). This simple projection method does not endogenously represent how the building stock could evolve through time. Most notably, it does not reflect large-scale electrification, for example, the conversion of space heating, water heating, clothes drying, and cooking from primary fossil fuels to electricity, as this is not part of AEO's reference case assumptions. Nonetheless this approach is more resolved and potentially extensible compared to the current method used by Standard Scenarios's reference case, which augments a sector's total load based on a single growth rate from AEO.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗