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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 991 records · Page 55
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Noninteracting electrons in a prototypical one-dimensional sinusoidal potential

A prototypical model of a one-dimensional metallic monatomic solid containing noninteracting electrons is studied, where the argument of the cosine potential energy, periodic with the lattice, contains the first reciprocal lattice vector G 1 =2π/a, where a is the lattice constant. The time-independent Schrödinger equation can be written in reduced variables as a Mathieu equation for which numerically exact solutions for the band structure and wave functions are obtained. The band structure has band gaps that increase with increasing amplitude q of the cosine potential. In the extended-zone scheme, the energy gaps decrease with increasing index n of the Brillouin-zone boundary ka=nπ, where k is the crystal momentum of the electron. The wave functions of the band electron are derived for various combinations of k and q as complex combinations of the real Mathieu functions with even and odd parity, and the normalization factor is discussed. The wave functions at the bottoms and tops of the bands are found to be real or imaginary, respectively, corresponding to standing waves at these energies. Irrespective of the wave vector k within the first Brillouin zone, the electron probability density is found to be periodic with the lattice. The Fourier components of the wave functions are derived versus q, which reveal multiple reciprocal-lattice-vector components with variable amplitudes in the wave functions unless q = 0. The magnitudes of the Fourier components are found to decrease exponentially as a power of n for n~3 to 45 for ka = π/2 and q = 2, and a precise fit is obtained to the data. The probability densities and probability currents obtained from the wave functions are also discussed. The probability currents are found to be zero for crystal momenta at the tops and bottoms of the energy bands, because the wave functions for these crystal momenta are standing waves. To conlcude, the band structure is calculated from the central equation and compared to the numerically exact band structure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Development of Hydrogen-Fueled, Highly Energy-Efficient, Electro-Hydraulic Excavator

Regulations for CO2 emissions reduction are driving increasing demand for “zero emissions” off-road vehicles (ORVs). Hydrogen internal combustion engines (H2 ICEs) are closer to commercial viability, and less expensive than fuel cells. The major challenge is the slow torque response of H2 ICEs, that makes it difficult to sustain the harsh torque requirements typical of ORVs. The goal of this paper is to overcome this challenge by proposing an electro-hydraulic hybrid technology with hybrid powertrain and multi-pressure rail technology as fluid power system for an excavator, to enable the use of the H2 ICE, while improving efficiency. The study is based on simulation in MATLAB/Simulink environment, using duty cycle data from a 24-ton excavator. Simulation results show that in respect to the diesel-powered baseline, the proposed electro-hydraulic hybrid allows the use of a H2 ICE, eliminates CO2 emissions and ensures a 52% fuel consumption reduction.

08 HYDROGEN↗
DOE OSTI2022

Battery calendar aging and machine learning

Batteries continue to attract immense attention due to the critical need for new energy technologies that can help humankind transition to a net-zero future. To meet global goals for implementation of new batteries, the research community needs to more coherently consider how to go about the process of innovation, development, and validation of new technologies. Current practices for bringing a new battery technology from the benchtop to deployment can be very time consuming and complex, given that batteries can have distinct aging pathways based on both how they are cycled and their storage conditions. In nearly all use cases, batteries experience periods of active cycling and also extended periods of rest. Thus, calendar time often occurs when a battery is close to fully charged. Currently, the combined cycle and calendar life aspects receive inconsistent attention during most stages of research and development. For batteries to fulfill the critical role envisioned to meet global energy demands, greater uniformity in practice is needed to alleviate potential delays caused by the inconsistent acquisition of aging data. In this study, we present our thoughts and recommendations on the need to further advance commonality and availability of calendar aging data for emerging high-energy and long-duration batteries. While there is a broad need to adopt best practices for both calendar and cycle life assessment, a push to greater uniformity in approach and reporting is sorely needed to allow calendar life predictions to harness many of the advances that have recently been seen for cycle life prediction using machine learning (ML) and other techniques.

25 ENERGY STORAGE↗
DOE OSTI2021

Business Environment Study (Subtask 5.1)

In 2016, WVR acquired the Wabash Integrated Gasification Combined Cycle (IGCC) Plant north of Terre Haute, Indiana. Initially, WVR intended to use the plant to produce ammonia using syngas converted to hydrogen. Part of the business plan was to capture and sequester the CO 2 byproduct with the goal of a net-zero carbon emitting plant. Now, with the demand for clean hydrogen-based power and fuel cell energy, the plant intends to produce power and sell hydrogen as a fuel source, still with the intent to sequester CO 2 and achieve net-zero emissions. The Wabash CarbonSAFE project’s objectives are to establish the feasibility of developing a commercial-scale geological storage complex at the WVR plant in Vigo County, Indiana, for storage of 50 million tonnes or more of CO 2 . The plant is expected to produce up to 2 million tons (1.82 million tonnes) of CO 2 annually as a byproduct of hydrogen production. Wabash CarbonSAFE has examined the feasibility of geologic storage of the CO 2 in the Potosi Dolomite Storage Complex of the Illinois Basin via an onsite characterization well at the WVR plant site. This document explores the business requirements to undertake such a project, outlining the outside influences on a business venture such as legislation, legal, regulatory, and business climate factors. This document then discusses the CO 2 source, potential partner sources, and the business financials that allow CCS to be commercially viable for Wabash Valley Resources.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
NASA NTRS1993

Particle drift in the Earth's plasma sheet

We generalize the derivation of the average gradient/curvature-drift for a flux tube filled with an isotropic distribution of particles at specified kinetic energy. The present treatment is restricted to a two-dimensional magnetic field with zero electric field, but it includes all chaotic and Speiser orbits, which do not correspond to the simple picture of gradient/curvature drift. We assume that particles are evenly distributed throughout the regions of phase space allowed by their energy and canonical momentum. This assumption is closely related but not exactly equivalent to the assumption of isotropic pitch-angle distribution. Our derivation assumes that the maximum Larmor radius is small compared to the scale length for equatorial variations in the flux tube volume, but it does not involve any restrictions on the curvature of the field line. The resulting expression for the drift rate is valid for situations where the particle drift velocity is comparable to the thermal speed in some regions. The apparent implication of this generalized treatment is that the existence of very complex non-adiabatic particle trajectories in the plasma sheet may not invalidate previous estimates of the average rate of particle drift out the sides of the tail, estimates that were made under the assumption of simple guiding-center drifts.

Wolf, R. A.↗
NASA NTRS1981

A normative price for energy from an electricity generation system: An Owner-dependent Methodology for Energy Generation (system) Assessment (OMEGA). Volume 1: Summary

The utility owned solar electric system methodology is generalized and updated. The net present value of the system is determined by consideration of all financial benefits and costs (including a specified return on investment). Life cycle costs, life cycle revenues, and residual system values are obtained. Break even values of system parameters are estimated by setting the net present value to zero. While the model was designed for photovoltaic generators with a possible thermal energy byproduct, it applicability is not limited to such systems. The resulting owner-dependent methodology for energy generation system assessment consists of a few equations that can be evaluated without the aid of a high-speed computer.

Chamberlain, R. G.↗
NASA NTRS1971

On strain energy and constitutive relations for alkali metals.

An expression for the strain energy as a continuous differentiable function of the Green-Cauchy deformation tensor is obtained for the alkali metals at absolute zero temperature. The development is based on well established quantum and classical calculations of the various contributions to the crystal energy. Stress-deformation relations are next obtained. As a check on the accuracy of the strain energy, theoretical calculations of the values of the second-order elastic coefficients are obtained and compared to known experimental data. The predicted values are shown to compare quite well with the experimental values.

Eftis, J.↗
DOE OSTI2022

Estimated HALEU Requirements for Advanced Reactors to Support a Net-Zero Emissions Economy by 2050

The primary purpose of this report is to provide a documented estimate of High-Assay Low-Enriched Uranium (HALEU) needs that may be used in Department of Energy discussions with stakeholders as part of preparations to establish the HALEU Availability Program authorized by the Energy Act of 2020. This report employed a two-step process to estimate HALEU needs for commercial advanced reactors.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Dependence of Cosmological Constraints on Gray Photometric Zero-point Uncertainties of Supernova Surveys

Abstract Type Ia supernova (SN) measurements of the Hubble constant, H 0 ; cosmic mass density, Ω M ; and dark energy equation-of-state parameter, w , rely on heterogeneous SN surveys across three decades of observation. These distinct surveys may have undiagnosed, relative photometric zero-point errors. We determine the sensitivities of the SH0ES+Pantheon+ cosmological constraints to unknown gray systematics in the photometric zero-point calibration between the 19 surveys that comprise the Pantheon+ SN compendium. Varying the surveys’ gray zero-points simultaneously with cosmological parameters, we determine that the SH0ES+Pantheon+ measurement of H 0 is robust against gray intersurvey photometric miscalibration. Specifically, uncalibrated intersurvey systematics could represent a source of uncertainty no larger than 0.39 km s −1 Mpc −1 for H 0 . This modest increase in H 0 uncertainty could not account for the 7 km s −1 Mpc −1 “Hubble tension” between the SH0ES measurement of H 0 and the Planck ΛCDM-based inference of H 0 . However, the SH0ES+Pantheon+ best-fit values of Ω M and w are not robust against gray zero-point error, slipping by up to 0.16 and −0.63. Because measurements of Ω M and w depend on intrasurvey cross-band calibration, the hypothetical gray miscalibration underestimates the sensitivity of these measurements to zero-point miscalibration. Because the Pantheon+ compendium contains many surveys that share low- z Hubble flow (HF) and Cepheid-paired SNe, intersurvey photometric calibration errors do not significantly impede the joint use of SH0ES and Pantheon+ to measure H 0 to 1% accuracy. However, H 0 constraints that rely on one HF survey but numerous galactic distance calibration surveys are susceptible to intersurvey photometric miscalibration.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Analysis of Ground Source Heat Pump ECMs: Implemented Under DOE ESPC IDIQ Contract

Several federal performance and decarbonization objectives are driving the U.S. government to transition to net-zero emissions across the federal building portfolio. The overarching purpose of this Federal Energy Management Program (FEMP)-Geothermal Technologies Office (GTO) work is to support federal facilities in accomplishing the administration’s federal building decarbonization goals. Creating awareness of existing geothermal (or ground-source) heat pump (GHP) systems deployed on federal property, implemented using performance contracts and evaluating the energy and environmental impacts of these systems, this work will assist federal facilities in considering inclusion of GHP technology energy conservation measures (ECMs) in future performance contracting project awards. This report summarizes analyses of data from GHP ECMs installed under the DOE ESPC IDIQ contract across various climate areas and geographic locations, agencies, and building use types. Through the analysis of proposed GHP ECMs and understanding key metrics on implemented GHP systems in a variety of applications, FEMP and GTO can further support federal agencies in meeting decarbonization and net-zero building goals by evaluating and incorporating GHP systems into performance contracts and communicate the benefits of this technology.

15 GEOTHERMAL ENERGY↗
NASA NTRS1974

Determination of the radial gradient in the region 0.81-1.0 AU using both high- and low-energy /more than 10-GeV and more than 52-MeV/ detectors for the 1-AU monitor

A determination of the radial gradient for alpha particles (31-46 MeV/nuc) and protons with energies above 7.5 MeV and 44-77 MeV in the region 1.0-0.81 AU is presented for the solar-quiet year 1966. The determinations are based on data from the Pioneer 6 space probe. Two different detectors are used: the Deep River neutron monitor and measurements of low energy protons made on the IMP-C satellite. The average energy response of the Deep River monitor is 16 GeV, whereas the IMP-C data is for protons with energies above 50 MeV. The resulting radial gradient is found to be nearly zero for the alpha particles and slightly negative for the protons. The same qualitative results were found using the IMP-C data and the Deep River neutron monitor to measure the temporal variation in the cosmic ray intensity. The present analysis indicates that detectors over a wide range of energies are suitable for measuring the radial gradient, providing sufficient statistical precision is obtained to evaluate short-term modulation and the azimuthal separation of the detectors is not great.

Sheldon, W. R.↗
DOE OSTI2022

Report on Fuel Cycle Facility Requirements for Deployment of Demonstration Reactors and Potential Evolutionary Fuel Cycle Scenarios

A series of fuel cycle scenarios studies were performed to inform on fuel cycle capacities and facilities needed for large-scale deployment of the Advanced Reactor Demonstration Program (ARDP) reactors and potential future evolutionary fuel cycle scenarios. The reactor deployment and evolutionary fuel cycle scenarios from the present to 2100 were developed based on the following assumptions: 1) achievement of a net-zero emissions economy in the United States by 2050, which requires a nuclear energy generation capacity of ~250 GWe by 2050, 2) the U.S. economic growth of 1% per year from 2051 to 2100, which results in ~340 GWe of nuclear energy capacity in 2100, and 3) commercial-scale recycling and high burnup fuel technologies are available after 2050. Thus, evolutionary fuel cycles with those advanced nuclear technologies start after 2050. A single once-through fuel cycle scenario was assumed from the present to 2050 to achieve a net-zero emissions economy in the United States, and the following four evolutionary fuel cycle scenarios from 2051 to 2100 were considered, 1) Once through fuel cycle with ARDP reactors (Natrium and Xe-100), 2) Once-through fuel cycle with Breed-and-Burn (B&B) fast reactors, 3) Recycling fuel cycle of used metallic fuel in fast reactors, and 4) Recycle fuel cycle of both used uranium oxide and metallic fuels in fast reactors. The projected front-end and back-end fuel cycle capacity demands are compared with the current domestic and global (if needed) fuel cycle capacities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Current Developments of Carbon Capture Storage and/or Utilization–Looking for Net-Zero Emissions Defined in the Paris Agreement

An essential line of worldwide research towards a sustainable energy future is the materials and processes for carbon dioxide capture and storage. Energy from fossil fuels combustion always generates carbon dioxide, leading to a considerable environmental concern with the values of CO2 produced in the world. The increase in emissions leads to a significant challenge in reducing the quantity of this gas in the atmosphere. Many research areas are involved solving this problem, such as process engineering, materials science, chemistry, waste management, and politics and public engagement. To decrease this problem, green and efficient solutions have been extensively studied, such as Carbon Capture Utilization and Storage (CCUS) processes. In 2015, the Paris Agreement was established, wherein the global temperature increase limit of 1.5 °C above pre-industrial levels was defined as maximum. To achieve this goal, a global balance between anthropogenic emissions and capture of greenhouse gases in the second half of the 21st century is imperative, i.e., net-zero emissions. Several projects and strategies have been implemented in the existing systems and facilities for greenhouse gas reduction, and new processes have been studied. This review starts with the current data of CO2 emissions to understand the need for drastic reduction. After that, the study reviews the recent progress of CCUS facilities and the implementation of climate-positive solutions, such as Bioenergy with Carbon Capture and Storage and Direct Air Capture. Future changes in industrial processes are also discussed.

Regufe, Maria João (ORCID:0000000327748302)↗
DOE OSTI2021

Evaluation of two-particle properties within finite-temperature self-consistent one-particle Green’s function methods: Theory and application to GW and GF2

One-particle Green’s function methods can model molecular and solid spectra at zero or non-zero temperatures. One-particle Green’s functions directly provide electronic energies and one-particle properties, such as dipole moment. However, the evaluation of two-particle properties, such as $\langle$S 2 $\rangle$ and $\langle$N 2 $\rangle$, can be challenging because they require a solution of the computationally expensive Bethe–Salpeter equation to find two-particle Green’s functions. We demonstrate that the solution of the Bethe–Salpeter equation can be completely avoided. Applying the thermodynamic Hellmann–Feynman theorem to self-consistent one-particle Green’s function methods, we derive expressions for two-particle density matrices in a general case and provide explicit expressions for GF2 and GW methods. Such density matrices can be decomposed into an antisymmetrized product of correlated one-electron density matrices and the two-particle electronic cumulant of the density matrix. Cumulant expressions reveal a deviation from ensemble representability for GW, explaining its known deficiencies. We analyze the temperature dependence of $\langle$S 2 $\rangle$ and $\langle$N 2 $\rangle$ for a set of small closed-shell systems. Interestingly, both GF2 and GW show a non-zero spin contamination and a non-zero fluctuation of the number of particles for closed-shell systems at the zero-temperature limit.

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

Measurement of Λ transverse polarization in e+e− collisions at $$ \sqrt{s} $$ = 3.68 − 3.71 GeV

Abstract With data samples collected with the BESIII detector at seven energy points at$$ \sqrt{s} $$ s = 3.68−3.71 GeV, corresponding to an integrated luminosity of 333 pb −1 , we present a study of the Λ transverse polarization in thee + e − →$$ \Lambda \overline{\Lambda} $$ Λ Λ ¯ reaction. The significance of polarization by combining the seven energy points is found to be 2.6σincluding the systematic uncertainty, which implies a non-zero phase between the transition amplitudes of the$$ \Lambda \overline{\Lambda} $$ Λ Λ ¯ helicity states. The modulus ratio and the relative phase of EM-psionicform factors combined with all energy points are measured to beR Ψ =$$ {0.71}_{-0.10}^{+0.10} $$ 0.71 − 0.10 + 0.10 ±0.03 and ∆Φ Ψ =$$ {23}_{-8.0}^{+8.8} $$ 23 − 8.0 + 8.8 ±1.6°, where the first uncertainties are statistical and the second systematic.

Physics↗
DOE OSTI2022

Approximate bounds and temperature dependence of adiabatic connection integrands for the uniform electron gas

Thermal density functional theory is commonly used in simulations of warm dense matter, a highly energetic phase characterized by substantial thermal effects and by correlated electrons demanding quantum mechanical treatment. Methods that account for temperature dependence, such as Mermin–Kohn–Sham finite-temperature density functional theory and free energy density functional theory, are now employed with more regularity and available in many standard code packages. However, approximations from zero-temperature density functional theory are still often used in temperature-dependent simulations using thermally weighted electronic densities as an input to exchange–correlation functional approximations, a practice known to miss temperature-dependent effects in the exchange–correlation free energy of these systems. Here, in this work, the temperature-dependent adiabatic connection is demonstrated and analyzed using a well-known parameterization of the uniform electron gas free energy. Useful tools based on this formalism for analyzing and constraining approximations of the exchange–correlation at zero temperature are leveraged for the finite-temperature case. Inspired by the Lieb–Oxford inequality, which provides a lower bound for the ground-state exchange–correlation energy, bounds for the exchange–correlation at finite temperatures are approximated for various degrees of electronic correlation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

The Modeling of Synfuel Production Process: ASPEN Model of FT production with electricity demand provided at LWR scale

Synfuels, or electro-fuels (e-fuels) have the unique potential to significantly reduce greenhouse gas (GHG) emissions across the transportation sector. This is especially true for applications with substantial payloads and daily miles traveled, such as long-haul heavy-duty vehicles, rail locomotives, marine vessels and aviation aircrafts that are challenging to directly electrify via battery or fuel cell powertrain technologies. Synfuels, or electro-diesel/electro-jet fuels, have similar properties with the incumbent petroleum fuels, compatible with current infrastructure but have much lower GHG emissions relative to the petroleum counterpart, because they utilize waste carbon dioxide (CO2) streams and green hydrogen (H2) sourced from electrolysis. To achieve substantial reductions in GHG emissions, electricity sources must be zero carbon or near-zero carbon, which is the case with solar, wind, hydro and nuclear power. Compared to the intermittency of solar, wind and hydro, nuclear energy provides a steady energy source. In addition, it’s advantageous for nuclear power to produce synfuels because it provides not only near-zero carbon electricity to displace grid electricity, but also near-zero carbon steam to displace carbon-intensive natural gas combustion for steam generation. The availability of electricity and steam also enables more efficient green hydrogen production by using high-temperature electrolysis. In this work, Argonne National Laboratory (ANL) models a synfuel production process via the Fischer- Tropsch (FT) reaction by using nuclear power to provide electricity and steam. In 2021, using ASPEN Plus software, ANL established a detailed process model of a stand-alone FT production facility, assuming feedstocks of pure CO2 and H2. This stand-alone model can be expanded to integrate H2 production from nuclear power via low-temperature and high-temperature electrolysis at light-water reactor (LWR) scale. This report summarizes the stand-alone ASPEN Plus model results with a detailed mass and energy analysis. Our modeled facility produces 351 MT/day (130,000 gal/day) of FT fuel (a mixture of naphtha, jet fuel, and diesel) by converting 223 MT/day of H2 and 2,387 MT/day of CO2. The FT fuel production energy efficiency is 58% and the carbon conversion efficiency (from CO2 to FT fuel) is 46%. The production of green hydrogen requires 390–470 MWe of electricity, which is compared with the capacity of an LWR plant. For the stand-alone FT process, the detailed energy demand (electricity and heat) is summarized in the table below. Based on the energy supply source and the required temperature, potential insertion points of nuclear energy are identified. Based on the potential nuclear energy utilization, this report discusses potential modification options for expanding the system boundary to integrate nuclear power use, for example on-site hydrogen production via water electrolysis. Modeling of the integrated system is conducted by closely working with ANL and Idaho National Laboratory (INL) collaborators to harmonize design parameters of nuclear plants and the FT production process.

Zang, Guiyan↗
NASA NTRS1990

Recovering Energy From A Rapidly Switched Gate

Circuit proposed to recover energy usually lost in charging and discharging internal gate capacitance of field-effect transistor during high-frequency switching. Scheme includes pulse-forming circuit generating rectangular waveform with zero-level notches near beginning and end of "on" period. Inductor resonates internal gate capacitance so energy recovered during notches.

Rippel, Wally E.↗