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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

New U.S. Data Tools are Playing a Crucial Role in Decarbonizing Buildings at Speed, Scale, and Low Cost

Preparing buildings for retrofits traditionally requires expensive on-site audits or time- intensive simulation models. As a result, the majority of buildings fail to pursue cost-saving retrofits. To address these barriers, the U.S. Department of Energy (DOE) has introduced the Building Efficiency Targeting Tool for Energy Retrofits (BETTER)—a new, free, on-line tool that utilizes a data-driven analytical engine and user-friendly web interface to automatically analyze a building’s monthly energy usage in response to weather conditions. The tool benchmarks a building’s electric and fossil energy usage against peers; estimates energy, cost, and emissions reductions at the building and portfolio levels; recommends energy efficiency measures; and prioritizes buildings for net-zero energy retrofits. Thanks to interoperability with the DOE’s Standard Energy Efficiency Data (SEED) platform, BETTER is supporting U.S. jurisdictions to prepare buildings for retrofit at speed, scale, and low cost to comply with energy policies. This paper discusses the use of BETTER and SEED by one of the branches of the California state government to streamline a retrofit program across 455 public non-residential buildings to align with state goals to reduce greenhouse gas emissions. It describes the organization’s challenge to reduce energy consumption across a geographically diverse, aging portfolio; explores how BETTER and SEED improved workflow efficiency; presents preliminary results, including avoiding audit costs of $3.28 million and developing the groundwork for retrofit projects estimated to prevent emission of 2,271 t CO2e annually; and provides guidance for other jurisdictions seeking similar results.

Li, han↗
DOE OSTI2021

A Technical and Economic Assessment of LWR Flexible Operation for Generation and Demand Balancing to Optimize Plant Revenue

With increased penetration of subsidized variable renewable energy (VRE) resources and competition from low natural gas prices, existing light water reactor (LWR) nuclear power plants (NPPs) are struggling to remain economically competitive. This work examines the potential economic competitiveness of various thermal energy storage (TES) technologies when coupled directly or indirectly with a NPP. To highlight their relative economic competitiveness, we contrast several energy storage solutions in stochastic dispatch optimization. We leverage data from recent work analyzing a range of TES technologies with varying capital costs, performance, and technology readiness level (TRL) to establish our case. We explore inserting these technologies into an electricity market with existing nuclear generation and large projected variable renewable energy (VRE) penetration. Although these technologies' projected capital costs may make them unlikely candidates in their current state, this analysis demonstrates a high-fidelity techno-economic analysis of energy storage. Furthermore, as the projected cost of energy storage technologies evolves, this analysis sets a precedent for similar future investigations. One region with projected trends that may be unfavorable for existing nuclear capacity is the New York Independent System Operator (NYISO) market. New York state’s baseload generation has been historically provided by fossil-fired and nuclear assets. However, amid economic pressures from subsidized VREs and low natural gas prices, the state has recently deactivated Indian Point nuclear power plant units 2 and 3. Furthermore, the state plans to meet its zero-emission generation target by 2040 by replacing fossil-fired capacity with significant investments in VRE resources like wind and solar photovoltaic (PV) and battery storage. Increased intermittent resource penetration lowers the baseload power requirement, adding further economic pressure to the state’s three remaining NPPs still in operation. With three NPPs still in operation in New York, this work analyzes potential economic benefits to NPPs on the New York grid when directly or indirectly coupled with various TES technologies. This work requires two modeling steps to analyze the potential economic benefits of various system configurations of the TES directly or indirectly coupled with nuclear. First, this analysis leverages capacity expansion modeling by experts at the Electric Power Research Institute (EPRI). Using their deterministic capacity expansion model, U.S. Regional Economy, Greenhouse Gas, and Energy (US-REGEN), EPRI analysts evaluated the capacity and generation evolution of the New York state energy market under four projection scenarios. These four projection scenarios were developed to represent the potential evolution of the capacity and generation in NYISO from 2015 to 2050 under various economic, technology, and policy constraints. The results from these capacity expansion models are then used as boundary conditions in the second modeling step. The second modeling step uses the Holistic Energy Resource Optimization Network (HERON) for a set of stochastic techno-economic analyses (STEAs) to investigate the potential increase in the economic viability of various configurations of the TES. With no current capacity expansion capabilities, HERON takes the data generated from US-REGEN for 2050 to generate synthetic load, solar, and wind data. Then HERON economically optimizes the capacity and dispatch of the various TES configurations. The potential economic benefit is the differential net present value (NPV) of the TES configurations from the no-TES baseline. As a stochastic techno-economic analysis package, HERON introduces uncertainty into the economic metrics, while US-REGEN trades resolution for reduced computational complexity. Using HERON also allows the modeling of direct thermal coupling, a feature not common in capacity and dispatch models. As expected, with high capital costs, the costs of introducing energy storage for all the technologies considered outweighed the potential economic benefit of this strategy for flexible plant operation. The benefit of this analysis is primarily in demonstrating a workflow that examines innovative solutions to increase NPP revenue via TES coupling. HERON’s stochastic capacity and dispatch optimization process used in this work has proven an effective tool in observing and evaluating the impact of introducing storage technologies in a grid energy system.

25 ENERGY STORAGE↗
DOE OSTI2023

Charge state transition levels of Ni in $β$-Ga 2 O 3 crystals from experiment and theory: An attractive candidate for compensation doping

Nickel-doped β-Ga 2 O 3 crystals were investigated by optical absorption and photoconductivity, revealing Ni-related deep levels. Here, the photoconductivity spectra were fitted using the phenomenological Kopylov and Pikhtin model to identify the energy of the zero-phonon transition (thermal ionization), Franck–Condon shift, and effective phonon energy. The resulting values are compared with the predicted ones by first-principle calculations based on the density functional theory (DFT). An acceptor level (0/-) of 1.9 eV and a donor level (+/0) of 1.1 eV above the valence band minimum are consistently determined for Ni Ga , which preferentially incorporates on the octahedrally coordinated Ga site. Temperature-dependent resistivity measurements yield a thermal activation energy of ~2.0 eV that agrees well with the determined Ni acceptor level. Conclusively, Ni is an eminently suitable candidate for compensation doping for producing semi-insulating β-Ga 2 O 3 substrates due to the position of the acceptor level (below and close to the mid-bandgap).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Resilient Distributed Frequency Regulation of Renewable Generators under Communication Interruptions

Modern power systems (MPSs) face significant challenges due to the high penetration of renewable energy sources (RESs) and new types of loads such as electric vehicles (EVs). Traditional load frequency control (LFC) methods struggle with the intermittent, stochastic nature of RESs, the near-zero inertia of power-electronics-based generators, and the mobility of controllable loads and battery systems. This paper introduces a novel resilient distributed frequency regulation method to address these issues. The proposed method employs a state space model to represent the dynamic behavior of participating power sources while accounting for stochastic switching processes to model structural and parameter variations caused by disruptions such as generator connection/disconnection, communication interruptions, and physical faults. By integrating these dynamic and stochastic components, the method treats power grids as a comprehensive stochastic hybrid system. Our method enhances conventional frequency control by incorporating local stability control, neighborhood control decoupling, and coordination feedback. Theoretical analyses establish the stability, convergence, and resilience of the proposed method, and its effectiveness is validated through case studies.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Observation of Joule–Thomson photon-gas expansion

In recent years, a self-consistent optical thermodynamic framework has emerged that offers a systematic methodology to understand, harness and exploit the complex collective dynamics of multimode nonlinear systems. These developments now allow consideration of a series of longstanding problems in optics, including the prospect of funnelling the entire power flowing in a multimode system into its ground state, for which no methodology currently exists. Here, we demonstrate an all-optical Joule-Thomson expansion process mediated by photon-photon interactions whereby the temperature of the optical gas drops abruptly to zero. Our experiments in various configurations of coupled multicore nonlinear waveguide arrangements illustrate how light undergoing expansion-induced cooling can be channelled from arbitrary input states into the fundamental mode with near-unity efficiency. We show that the stability of the post-expansion state is ensured through an irreversible process of energy conversion. The all-optical thermodynamic phenomena explored in this study may enable innovative techniques where various uncorrelated but identical sources are merged into a unified spatially coherent state, offering a route for direct beam combining.

Kirsch, Marco S. (ORCID:0000000342798228)↗
DOE OSTI2022

Cobalt as a promising dopant for producing semi-insulating β-Ga 2 O 3 crystals: Charge state transition levels from experiment and theory

Optical absorption and photoconductivity measurements of Co-doped β-Ga 2 O 3 crystals reveal the photon energies of optically excited charge transfer between the Co related deep levels and the conduction or valence band. The corresponding photoionization cross sections are fitted by a phenomenological model considering electron–phonon coupling. The obtained fitting parameters: thermal ionization (zero-phonon transition) energy, Franck–Condon shift, and effective phonon energy are compared with corresponding values predicted by first principle calculations based on density functional theory. A (+/0) donor level ~0.85 eV above the valence band maximum and a (0/-) acceptor level ~2.1 eV below the conduction band minimum are consistently derived. Temperature-dependent electrical resistivity measurement at elevated temperatures (up to 1000 K) yields a thermal activation energy of 2.1 ± 0.1 eV, consistent with the position of the Co acceptor level. Furthermore, the results show that Co doping is promising for producing semi-insulating β-Ga 2 O 3 crystals.

Materials science↗
DOE OSTI2022

To dee or not to dee: costs and benefits of altering the triangularity of a steady-state DEMO-like reactor

Shaping a tokamak plasma to have a negative triangularity may allow operation in an edge-localized mode-free L-mode regime and with a larger strike-point radius, ameliorating divertor power-handling requirements. However, the shaping has a potential drawback in the form of a lower no-wall ideal beta limit, found using the MHD codes CHEASE and DCON. Using the new fusion systems code FAROES, we construct a steady-state DEMO2 reactor model. This model is essentially zero-dimensional and neglects variations in physical mechanisms like turbulence, confinement, and radiative power limits, which could have a substantial impact on the conclusions deduced herein. Keeping its shape otherwise constant, we alter the triangularity and compute the effects on the levelized cost of energy (LCOE). If the tokamak is limited to a fixed B field, then unless other means to increase performance (such as reduced turbulence, improved current drive efficiency or higher density operation) can be leveraged, a negative-triangularity reactor is strongly disfavored in the model due to lower β N limits at negative triangularity, which leads to tripling of the LCOE. However, if the reactor is constrained by divertor heat fluxes and not by magnet engineering, then a negative-triangularity reactor with higher B 0 could be favorable: we find a class of solutions at negative triangularity with lower peak heat flux and lower LCOE than those of the equivalent positive triangularity reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Electronic structure and magnetic and transport properties of antiferromagnetic Weyl semimetal GdAlSi

Here we report the topological electronic structure, magnetic, and magnetotransport properties of a noncentrosymmetric compound GdAlSi. Magnetic susceptibility shows an antiferromagnetic transition at TN = 32 K. In-plane isothermal magnetization exhibits an unusual hysteresis behavior at higher magnetic field, rather than near zero field. Moreover, the hysteresis behavior is asymmetric under positive and negative magnetic fields. First-principles calculations were performed on various magnetic configurations, revealing that the antiferromagnetic state is the ground state, and the spiral antiferromagnetic state is a close competing state. The calculations also reveal that GdAlSi hosts multiple Weyl points near the Fermi energy. The band structure measured by angle-resolved photoemission spectroscopy (ARPES) shows relatively good agreement with the theory, with the possibility of Weyl nodes slightly above the Fermi energy. Within the magnetic ordered state, we observe an exceptionally large anomalous Hall conductivity (AHC) of ~ 1310 Ω-1cm-1 at 2 K. Interestingly, the anomalous Hall effect persists up to room temperature with a significant value of AHC (~ 155 Ω-1cm-1). Our analysis indicates that the large AHC originates from the Berry curvature associated with the multiple pairs of Weyl points near Fermi energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Energy Impact of Radiative Cooling Paints in Warehouses Under Various United States Climates

Although radiative cooling research is widely found in the literature, no comprehensive study has yet been conducted on the impact of novel radiant cooling (>0.91 reflectance) on the energy efficiency of warehouses. Here, in this work, we develop three building models based on a Department of Energy prototype warehouse model using trnsys, representing a typical warehouse with a black roof, a typical warehouse with a white roof, and a warehouse with novel radiative cooling (RC) paint on its roof. These models are run for 15 different cities, each representative of a different ASHRAE climate zone, to better understand the impact of RC in many different climates. It was found that an RC-coated roof in a warehouse could reduce the building's annual heating, ventilation, and air conditioning (HVAC) loads by up to 14.11 kWh/m 2 of the roof area compared to a black roof, resulting in a maximum reduction in energy costs of 0.55 $\$$/m 2 or $\$$2646/year for a large 4835 m 2 warehouse. Similarly, replacing the typical white roof coating with an RC coating could reduce the warehouse's energy consumption by up to 8.17 kWh/ m 2 of roof area, thus reducing energy costs by as much as 0.29 $\$$/m 2 or $\$$1386/year for a 4835 m 2 warehouse. In addition, applying RC paint to an unconditioned warehouse could reduce the building's ASHRAE Standard 55 indoor temperature exceedance by up to 1330 h/year compared to a black roof and up to 532 h/year compared to a white roof.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

To dee or not to dee: costs and benefits of altering the triangularity of a steady-state DEMO-like reactor

Shaping a tokamak plasma to have a negative triangularity may allow operation in an ELM-free L-mode regime and with a larger strike-point radius, ameliorating divertor power-handling requirements. However, the shaping has a potential drawback in the form of a lower no-wall ideal beta limit, found using the MHD codes CHEASE and DCON. Using the new fusion systems code FAROES, we construct a steady-state DEMO2 reactor model. This model is essentially zero-dimensional and neglects variations in physical mechanisms like turbulence, confinement, and radiative power limits, which could have a substantial impact on the conclusions deduced herein. Keeping its shape otherwise constant, we alter the triangularity and compute the effects on the levelized cost of energy (LCOE). If the tokamak is limited to a fixed B field, then unless other means to increase performance (such as reduced turbulence, improved current drive efficiency or higher density operation) can be leveraged, a negative-triangularity reactor is strongly disfavored in the model due to lower \beta_N limits at negative triangularity, which leads to tripling of the LCOE. However, if the reactor is constrained by divertor heat fluxes and not by magnet engineering, then a negative-triangularity reactor with higher B0 could be favorable: we find a class of solutions at negative triangularity with lower peak heat flux and lower LCOE than those of the equivalent positive triangularity reactors.

CHEASE↗
DOE OSTI2020

Ab Initio Phase Diagram of Tungsten

The phase diagram of tungsten (W) to a pressure (P) of 2500 GPa is investigated using a comprehensive ab initio approach that includes (i) the calculation of the zero temperature (T) free energies (enthalpies) of different solid structures, (ii) the quantum molecular dynamics simulation of the melting curves of different solid structures, (iii) the derivation of the analytic form for the solid-solid phase transition boundary, and (iv) the simulations of the solidification of liquid W into the final solid states on both sides of the solid-solid phase transition boundary, in order to confirm the corresponding analytic form. There are two solid structures confirmed to be present on the phase diagram of W, the ambient body-centered cubic (bcc) and the high-pressure double hexagonal close-packed (dhcp). At T = 0, the bcc-dhcp transition occurs at 1060 GPa, and the transition boundary has a positive slope dT/dP : the bcc-dhcp-liquid triple point is at (P, T) = (1675 GPa, 23680 K).

36 MATERIALS SCIENCE↗
NASA NTRS1988

Computed potential energy surfaces for chemical reactions

The minimum energy path for the addition of a hydrogen atom to N2 is characterized in CASSCF/CCI calculations using the (4s3p2d1f/3s2p1d) basis set, with additional single point calculations at the stationary points of the potential energy surface using the (5s4p3d2f/4s3p2d) basis set. These calculations represent the most extensive set of ab initio calculations completed to date, yielding a zero point corrected barrier for HN2 dissociation of approx. 8.5 kcal mol/1. The lifetime of the HN2 species is estimated from the calculated geometries and energetics using both conventional Transition State Theory and a method which utilizes an Eckart barrier to compute one dimensional quantum mechanical tunneling effects. It is concluded that the lifetime of the HN2 species is very short, greatly limiting its role in both termolecular recombination reactions and combustion processes.

Walch, Stephen P.↗
DOE OSTI2025

Infinite temperature at zero energy

We construct a family of static, geometrically local Hamiltonians that inherit eigenstate properties of periodically-driven (Floquet) systems. Our construction is a variation of the Feynman-Kitaev clock -- a well-known mapping between quantum circuits and local Hamiltonians -- where the clock register is given periodic boundary conditions. Assuming the eigenstate thermalization hypothesis (ETH) holds for the input circuit, our construction yields Hamiltonians whose eigenstates have properties characteristic of infinite temperature, like volume-law entanglement entropy, across the whole spectrum -- including the ground state. We then construct a family of exactly solvable Floquet quantum circuits whose eigenstates are shown to obey the ETH at infinite temperature. Combining the two constructions yields a new family of local Hamiltonians with provably volume-law-entangled ground states, and the first such construction where the volume law holds for all contiguous subsystems.

FOS: Physical sciences↗
DOE OSTI2026

Optimal Pathways from Alternative Carbon Feedstocks to Organic Commodity Chemicals

The use of biogenic and waste feedstocks is a promising strategy to improve the chemical sector's supply chain resiliency and carbon intensity. To help inform research efforts that transform these feedstocks into industrial chemicals, we used a systematic analysis framework to consistently evaluate the economics and environmental impacts of >200 alternative production pathways for 51 organic commodity chemicals in the United States under an optimistic future scenario that reflects the potential upper bounds of process scalability, energy availability, and carbon uptake. Lower-impact and lower-cost alternative pathways were identified for all but three chemicals, with 75% using thermochemical routes and half leveraging existing manufacturing infrastructure. Scenario analysis shows that the ranking of these pathways for half of the assessed chemicals is particularly sensitive to carbon uptake assumptions and criteria prioritization (i.e., cost only, environmental impact only, or both), with changes in electricity grid mix, hydrogen source, and underlying mass and energy flow data proving less influential. Implementing alternative pathways for just 11 chemicals could support a transition to net-zero greenhouse gas emissions from chemical production by 2050, with 11% lower cost than business as usual, similar water requirements, quadrupled electricity demand, and the use of most available woody biomass. These findings provide an exploratory guide toward a future chemical industry that harnesses alternative feedstocks.

09 BIOMASS FUELS↗
DOE OSTI2020

Microcomputed X-Ray Tomographic Imaging and Image Processing for Microstructural Characterization of Explosives

Microstructural characterization of composite high explosives (HEs) has become increasingly important over the last several decades in association with the development of high fidelity mesoscale modeling and an improved understanding of ignition and detonation processes. HE microstructure influences not only typical material properties (e.g., thermal, mechanical) but also reactive behavior (e.g., shock sensitivity, detonation wave shape). A detailed nondestructive 3D examination of the microstructure has generally been limited to custom-engineered samples or surrogates due to poor contrast between the composite constituents. Highly loaded (>90 wt%) HE composites such as plastic-bonded explosives (PBX) are especially difficult. Here, we present efforts to improve measurement quality by using single and dual-energy microcomputed X-ray tomography and state-of-the-art image processing techniques to study a broad set of HE materials. Some materials, such as PBX 9502, exhibit suitable contrast and resolution for an automatic segmentation of the HE from the polymer binder and the voids. Other composite HEs had varying levels of success in segmentation. Post-processing techniques that used commercially available algorithms to improve the segmentation quality of PBX 9501 as well as zero-density defects such as cracks and voids could be easily segmented for all samples. Aspects of the materials that lend themselves well to this type of measurement are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Simultaneous Optimization of Nuclear–Electronic Orbitals

Accurate modeling of important nuclear quantum effects, such as nuclear delocalization, zero-point energy, and tunneling, as well as non-Born-Oppenheimer effects, requires treatment of both nuclei and electrons quantum mechanically. The nuclear–electronic orbital (NEO) method provides an elegant framework to treat specified nuclei, typically protons, on the same level as the electrons. In conventional electronic structure theory, finding a converged ground state can be a computationally demanding task; converging NEO wavefunctions, due to their coupled electronic and nuclear nature, is even more demanding. Herein, we present an efficient simultaneous optimization method that uses the direct inversion in the iterative subspace method to simultaneously converge wavefunctions for both the electrons and quantum nuclei. In conclusion, benchmark studies show that the simultaneous optimization method can significantly reduce the computational cost compared to the conventional stepwise method for optimizing NEO wavefunctions for multicomponent systems.

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

The CanBikeCO Full Pilot: Long-Term Results and Analysis From an E-Bike Program in Colorado, USA

Personal micromobility devices like bicycles, e-bikes, and scooters are low- or zero-energy alternatives to single-occupancy vehicles. However, a lack of data has led to a dearth of data-driven research on personally owned e-bike usage. We present longitudinal findings from the CanBikeCO program, focused on e-bike adoption and use across demographics, trip characteristics, and geographies in the state of Colorado. CanBikeCO recorded travel survey data from low-income individuals provided with personal e-bikes by the Colorado Energy Office in six communities across Colorado from July 2021 to December 2022. The data were collected using a custom instance of the National Renewable Energy Laboratory OpenPATH platform, which combines passive data collection with semantic information such as trip mode and purpose labels. To our knowledge, there are no prior travel survey data on personally owned e-bikes with this range and scope. Insights from this unique dataset include: (i) work trips were 17% more likely than average trips to be taken on an e-bike, (ii) e-bikes were most often reported to replace cars (34% of e-bike trips) and other personal micromobility devices (22%), and (iii) participants favored walking for trips less than 1 mile, e-bikes for trips of 1-3 miles, and e-bikes, cars, or shared rides for trips of 3-20 miles. The data used to generate these results have been made available in the Transportation Secure Data Center. We find e-bike use is appealing across age groups and may be related to characteristics of land use, urban form, occupation, income, and car ownership. We conclude for this population that the energy demand added by e-bike use (induced demand and replacing non-motorized modes) is outweighed by the reduction in energy demand from replacement of single-occupancy vehicle trips with e-bike trips. Our findings suggest considerable potential for energy savings from personal e-bike ownership.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

High Inlet Temperature Combustor for Direct-Fired Supercritical Oxy-Combustion

It is envisioned that supercritical CO 2 (sCO 2 ) electric power plant efficiencies can exceed 52% with 99% carbon capture using direct-fired oxy-combustion. Such efficiencies would be competitive with Natural Gas Combined Cycles (NGCC) and operate with nearly zero carbon emissions. To achieve high plant efficiencies, turbine inlet conditions must approach 1,200 °C at 250 bar. Such conditions, while desirable from a systems perspective, exceed the current state of the art in turbine design and materials qualification. The team of Southwest Research Institute ® (SwRI ® ), Georgia Institute of Technology (Georgia Tech), Spectral Energies, LLC (Spectral), GE Global Research (GE-GRC), and the University of Central Florida (UCF) sought to demonstrate an intermediate step toward these high efficiency plants with the development of a 1 MWth, subscale direct-fired oxy-fuel combustor. The efforts focused largely on the development of an auto-ignition based combustion system capable of providing the targeted 1200 °C and the pilot-scale plant to operate the combustor. While the project was stopped short of the commissioning and demonstration work, the advances made in this effort will reduce risks associated with chemical kinetics, thermal management, water separation, flue gas cleanup, materials selection, and corrosion in future demonstration efforts for the direct-fired oxy-fuel combustion cycles. The following report documents the design, analysis, and installation efforts completed during the project periods of performance.

03 NATURAL GAS↗