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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS1981

A normative price for energy from an electricity generation system: An Owner-dependent Methodology for Energy Generation (system) Assessment (OMEGA). Volume 2: Derivation of system energy price equations

The methodology presented is a derivation of the utility owned solar electric systems model. 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.

Chamberlain, R. G.↗
DOE OSTI2022

Reorganization Energies for Interfacial Proton-Coupled Electron Transfer to a Water Oxidation Catalyst

The reorganization energy (λ) for interfacial electron transfer (ET) and proton-coupled electron transfer (PCET) from a conductive metal oxide (In 2 O 3 :Sn, ITO) to a surface-bound water oxidation catalyst were extracted from kinetic data measured as a function of the thermodynamic driving force. Visible light excitation resulted in rapid excited-state injection (k inj > 10 8 s -1 ) to the ITO, which photo-initiated the two interfacial reactions of interest. The rate constants for both reactions increased with the driving force, −ΔG°, to a saturating limit, k max , with rate constants consistently larger for ET than for PCET. Marcus-Gerischer analysis of the kinetic data provided the reorganization energy for interfacial PCET (0.90 ± 0.02 eV) and ET (0.40 ± 0.02 eV), respectively. The magnitude of k max for PCET was found to decrease with pH, behavior that was absent for ET. Both the decrease in k max and the larger reorganization energy for an unwanted competing PCET reaction from the ITO to the oxidized catalyst showcases a significant kinetic advantage for driving solar water oxidation at high pH. Computational analysis revealed a larger inner-sphere reorganization energy contribution for PCET than for ET arising from a more significant change in the Ru–O bond length for PCET. Extending Marcus-Gerischer theory to PCET by including the excited electron-proton vibronic states and the proton donor-acceptor motion provided an apparent reorganization energy of 1.01 eV. Furthermore, this study demonstrates that the Marcus-Gerischer theory initially developed for ET can be reliably extended to PCET for quantifying and interpreting reorganization energies observed experimentally.

Catalysts Kinetic parameters↗
DOE OSTI2022

Quantum efficiency, photoemission energy spectra, and mean transverse energy of ultrananocrystalline diamond photocathode

The quantum efficiency and mean transverse energy of electrons emitted from a cathode determine the quality of beams generated from photoinjectors. The nitrogen-incorporated ultrananocrystalline diamond, (N)UNCD, is a new class of robust semiconductor photocathodes, which has been considered in photoinjectors for high peak current extraction. In this work, we measure the spectral response in quantum efficiency, photoemission energy spectra, and mean transverse energy of the (N)UNCD photocathode using a photoemission electron microscope. The observed quantum efficiency was comparable to that of copper photocathodes. Photoemission spectra showed the evidence of scattering of electrons before emission. This relaxation of electrons due to scattering is also observed in the spectral response of the mean transverse energy. The mean transverse energy is limited to ∼70 meV at the threshold. We attribute this to the physical and chemical roughness of the (N)UNCD photocathode and, hence, smoother films will be required to further reduce the mean transverse energy obtained from the (N)UNCD photocathode.

Kachwala, A. (ORCID:0000000301756478)↗
DOE OSTI2023

Band Energy Dependence of Defect Formation in the Topological Semimetal Cd3As2

Cadmium Arsenide (Cd3As2) is a prototypical Dirac semimetal that manifests topological properties in a 3D bulk material. In defect-free Cd3As2, the Fermi level lies at a minimum in the density of states at the Dirac point, but experimentally it forms with excess electron carriers and an elevated EF, thereby masking the topological features. To computationally study the self-doping of Cd3As2, we combine density functional theory (DFT) calculations for defect formation energies with quasi-particle self-consistent GW (QSGW) electronic structure calculations. We demonstrate an innate dependence of the point defect formation energies on carrier concentrations and use the QSGW calculated density of states to extrapolate formation energies to arbitrary electron concentrations. This approach allows the quantitative modeling of thermodynamic defect equilibria in topological semimetals and is used to predict how Cd3As2 growth conditions affect the position of EF relative to the Dirac point.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS↗
DOE OSTI2022

Differential Measurements of Jet Substructure and Partonic Energy Loss in Au+Au Collisions at √ sNN = 200 GeV

The STAR collaboration presents jet substructure measurements related to both the momentum fraction and the opening angle within jets in p+p and Au+Au collisions at √sNN =200GeV. The substructure observables include SoftDrop groomed momentum fraction (zg), groomed jet radius (Rg), and subjet momentum fraction (zSJ) and opening angle (θSJ). The latter observable is introduced for the first time. Fully corrected subjet measurements are presented for p+p collisions and are compared to leading-order Monte Carlo models. The subjet θSJ distributions reflect the jets leading opening angle and are utilized as a proxy for the resolution scale of the medium in Au+Au collisions. We compare data from Au+Au collisions to those from p+p which are embedded in minimum-bias Au+Au events in order to include the effects of detector smearing and the heavy-ion collision underlying event. The subjet observables are shown to be more robust to the background than zg and Rg. We observe no significant modifications of the subjet observables within the two highest-energy, back-to-back jets, resulting in a distribution of opening angles and the splittings that are vacuumlike. We also report measurements of the differential dijet momentum imbalance (AJ) for jets of varying θSJ. We find no qualitative differences in energy loss signatures for varying angular scales in the range 0.1< θSJ<0.3, leading to the possible interpretation that energy loss in this population of high-momentum dijet pairs, is due to soft medium-induced gluon radiation from a single color charge as it traverses the medium.

Abdallah, M. S.↗
DOE OSTI2025

Thermal modifications of mesons and energy-energy correlators from real-time simulations of a 𝑈⁡(1) lattice gauge theory

We investigate thermal properties of a 𝑈⁡(1) lattice gauge theory in 1 + 1 dimensions through real-time simulations. We extract the spectral functions directly coupling to the pseudoscalar and scalar mesons, demonstrating the thermal modifications of these states with increasing temperatures. Introducing the notion of energy-flow operators, we quantify the temporal buildup of correlations in the energy flows across the lattice. We demonstrate that energy-energy correlators fail to factorize to products of energy flows, both in the vacuum and at nonzero temperature, indicating the presence of nontrivial correlations in the quantum states. Our results constitute a first real-time ab initio study of bound-state thermal broadening and finite temperature energy-flow correlations in a gauge theory, providing a benchmark for future studies of hadronic matter under extreme conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Data-Driven Modeling and Optimization of Building Energy Consumption: a Case Study

Installing sensors and Building Automation Systems (BAS) allows controlling the facility operations while generating data that can be analyzed for model development. This work focuses on data-driven modeling of the building to optimize energy consumption. The City of Orlando aims to reduce its energy consumption so, they provided us access to their BAS for data and studying the operation of its facilities. We selected a mid-size pilot building to conduct data analysis and modeling. We develop an Application Programming Interface (API) to login to the servers and scrape data. The scraped data contains features ranging from environmental conditions to equipment activity. This dataset is a time series so, it's handled in accordance and analyzed to investigate patterns and relations between data points that help choose parameters for predictive models for building and equipment. Finally, the models are optimized to reduce the energy consumption of the facility.

Grover, Divas↗
DOE OSTI2022

Potential Heating Energy and Cost Savings of Dual Fuel Heat Pump Controls as a Residential Building Equipment Retrofit in the U.S.

This study investigated the energy and cost savings potential by modeling a dual fuel heat pump system with its control for a residential building in (5A) cold climate in U.S. The simulation analysis showed that the application of the DFHP system and its control to the target building can save the heating energy by 42% over a gas furnace system (baseline system). Although the HP-only system can save more heating energy (i.e., 53%) over the baseline system than DFHP system does, the DFHP with its control demonstrated the higher cost savings when a time of use electricity rate was considered.

Yoon, Yeobeom↗
DOE OSTI2021

Molecular Dynamics Free Energy Simulations Reveal the Mechanism for the Antiviral Resistance of the M66I HIV-1 Capsid Mutation

While drug resistance mutations can often be attributed to the loss of direct or solvent-mediated protein−ligand interactions in the drug-mutant complex, in this study we show that a resistance mutation for the picomolar HIV-1 capsid (CA)-targeting antiviral (GS-6207) is mainly due to the free energy cost of the drug-induced protein side chain reorganization in the mutant protein. Among several mutations, M66I causes the most suppression of the GS-6207 antiviral activity (up to ~84,000-fold), and only 83- and 68-fold reductions for PF74 and ZW-1261, respectively. To understand the molecular basis of this drug resistance, we conducted molecular dynamics free energy simulations to study the structures, energetics, and conformational free energy landscapes involved in the inhibitors binding at the interface of two CA monomers. To minimize the protein−ligand steric clash, the I66 side chain in the M66I−GS-6207 complex switches to a higher free energy conformation from the one adopted in the apo M66I. In contrast, the binding of GS-6207 to the wild-type CA does not lead to any significant M66 conformational change. Based on an analysis that decomposes the absolute binding free energy into contributions from two receptor conformational states, it appears that it is the free energy cost of side chain reorganization rather than the reduced protein−ligand interaction that is largely responsible for the drug resistance against GS-6207.

Sun, Qinfang (ORCID:0000000173621543)↗
NASA NTRS1978

Charge and energy spectra of heavy cosmic rays at intermediate energies

The energy spectra and the charge composition of the primary elements C, O, Ne, Mg, and Si have been measured in both the low-energy and high-energy modes of the University of Chicago telescope on board the IMP 8 spacecraft. Combining both modes of analysis yields differential energy spectra for each element from about 50 MeV/nucleon to about 1 GeV/nucleon. The charge ratios with respect to oxygen are found to be energy independent over this interval and are consistent with the results of cosmic-ray propagation and solar-modulation calculations. The relative abundances obtained are in substantial agreement with previous investigations in this energy regime.

Garcia-Munoz, M.↗
NASA NTRS1980

Comparative energy spectra of z equals 3-8 nuclei in the energy range 200 MeV/nuc to 3 GeV/nuc

The energy spectra and charge ratios of Li, Be, B, C, N, and O nuclei in the energy range 200 MeV/nuc to 3 GeV/nuc are examined with measurements obtained during a 50 hour balloon flight in 1977 from a telescope containing several scintillation and Cerenkov counters. The ratios Li/C, Be/C, and B/C are compared with predictions based on the leaky box interstellar propagation model showing that the ratios steadily increase in the apparent interstellar matter path length down to energies of about 400 to 600 MeV/nuc, where it is between 6.5 and 7.5 g/square cm. The effects of solar modulation upon the ratios are considered for energies less than about 1 GeV/nuc as well as for a modulation parameters of phi not less than 400 MV. By examining the ratios Li/Be, Li/B, and Be/B as a function of energy, it is shown that the Li/Be ratio is most sensitive to the solar modulation effects, and that the observed changes in this ratio with energy can be explained by a relatively large modulation consistent with a phi equal to 400 MV in 1977.

Webber, W. R.↗
NASA NTRS1985

Low-energy and medium-energy gamma rays from PSR 0531 + 21

Results are presented from the Crab Pulsar PSR 0531 + 21 for energies of 0.3-30 MeV. For energies of 1-30 MeV, the absolute phase and separation of the first and second pulses 12.9 + or - 0.3 ms, widths of the pulses 2.2 + or - 0.5 ms FWHM, and 1.6 + or - 0.4 ms FWHM, ratio of the counts in the second to the first pulse 0.64 + or - 0.33 and ratio of counts in the interpulse region to the total pulsed counts 0.17 + or - 0.30 are compared to te results vor energies, E greater than 50 MeV and their variations with time. Values from the phase plots for E greater than 0.3 MeV are compared with low-energy gamma rays during 1970 through 1980 from several experiments with energies from about 20 to 360 keV. The above suggest different production mechanisms for low- and high-energy gamma rays with a transition at about 1 MeV. Derived fluxes from 0.3 to 30 MeV confirm a previously derived power law.

White, R. S.↗
NASA NTRS1987

Product energy distributions and energy partitioning in O atom reactions on surfaces

Surface reactions involving O atoms are likely to be highly exoergic, with different consequences if energy is channeled mostly to product molecules or surface modes. Thus the surface may become a source of excited species which can react elsewhere, or a sink for localized heat deposition which may disrupt the surface. The vibrational energy distribution of the product molecule contains strong clues about the flow of released energy. Two instructive examples of energy partitioning at surfaces are the Pt catalyzed oxidations: (1) C(ads) + O(ads) yields CO* (T is greater than 1000 K); and (2) CO(ads) + O(gas) yields CO2* (T is approx. 300 K). The infrared emission spectra of the excited product molecules were recorded and the vibrational population distributions were determined. In reaction 1, energy appeared to be statistically partitioned between the product CO and several Pt atoms. In reaction 2, partitioning was non-statistical; the CO2 asymmetric stretch distribution was inverted. In gas reactions these results would indicate a long lived and short lived activated complex. The requirement that Pt be heated in O atoms to promote reaction of atomic O and CO at room temperature is specifically addressed. Finally, the fraction of released energy that is deposited in the catalyst is estimated.

Halpern, Bret↗
NASA NTRS1992

Relationship between wave energy and free energy from pickup ions in the Comet Halley environment

The free energy available from the implanted heavy ion population at Comet Halley is calculated by assuming that the initial unstable velocity space ring distribution of the ions evolves toward a bispherical shell. Ultimately this free energy adds to the turbulence in the solar wind. Upstream and downstream free energies are obtained separately for the conditions observed along the Giotto spacecraft trajectory. The results indicate that the waves are mostly upstream propagating in the solar wind frame. The total free energy density always exceeds the measured wave energy density because, as expected in the nonlinear process of ion scattering, the available energy is not all immediately released. An estimate of the amount which has been released can be obtained from the measured oxygen ion distributions and again it exceeds that observed. The theoretical analysis is extended to calculate the k spectrum of the cometary-ion-generated turbulence.

Huddleston, D. E.↗