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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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Integrated North American energy markets under different futures of cross-border energy infrastructure
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Relativistic effects for the reaction Sg + 6 CO → Sg(CO){sub 6}: Prediction of the mean bond energy, atomization energy, and existence of the first organometallic transactinide superheavy hexacarbonyl Sg(CO){sub 6}
Our ab initio all-electron fully relativistic Dirac–Fock (DF) and nonrelativistic (NR) Hartree-Fock calculations predict the DF relativistic and NR energies for the reaction: Sg + 6 CO → Sg(CO){sub 6} as −7.39 and −6.96 eV, respectively, i.e., our calculated ground state total DF relativistic and NR energies for the reaction product Sg(CO){sub 6} are lower by 7.39 and 6.96 eV than the total DF and NR ground state energies of the reactants, viz., one Sg atom plus six CO molecules, respectively. Our calculated DF relativistic and NR atomization energies (Ae) are 65.23 and 64.82 eV, respectively, and so the contribution of relativistic effects to the Ae of ∼0.40 eV is marginal. The Sg–C and C–O optimized bond distances for the octahedral geometry as calculated in our DF (NR) calculations are 2.151 (2.318 Å) and 1.119 (1.114 Å), respectively. The BSSE correction calculated using the DIRAC code ∼14 kcal/mol. The relativistic DF and NR mean energies predicted by us are 118.8 and 111.9 kJ/mol, respectively, and the contribution of ∼7 kJ/mol due to relativistic effects to the mean energy of Sg(CO){sub 6} is negligible. Ours are the first calculations of the relativistic effects for the atomization energy, mean bond energy, and energy of the reaction for possible formation of Sg(CO){sub 6}, and both our relativistic DF and the NR treatments clearly predict for the first time the existence of hexacarbonyl of the transactinide superheavy element seaborgium Sg. In conclusion, relativistic effects are not significant for Sg(CO){sub 6}.
Ab Initio Molecular Dynamics Simulations of Low-Energy Recoil Events in ThO2, CeO2, and ZrO2
Ab initio molecular dynamics simulations of low-energy recoil events in ThO2, CeO2, and ZrO2 have been carried out to determine the threshold displacement energies, resulting defect configurations, dynamics of defect generation, and role of charge transfer during the process. The results reveal that, in most cases, these fluorite structure oxides exhibit a similar response to low-energy recoils. A variety of different defect configurations are created, consisting mainly of vacancies and interstitials. Charge transfer occurs during the dynamic displacement process. Local charge redistribution leads to cation and O vacancies being negatively and positively charged, respectively. Likewise, due to charge redistribution, the cation and O interstitials are less positively and negatively charged, respectively, than the ions on lattice sites in perfect MO2.
Exploring the future energy-mobility nexus: The transportation energy & mobility pathway options (TEMPO) model
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X-ray back-diffraction: can we further increase the energy resolution by tuning the energy slightly below that of exact backscattering?
X-ray beams at energies tuned slightly below that of exact backscattering (extreme conditions, where X-ray back-diffraction is almost extinguished - called residual XBD) are better focused if the experiment is carried out at lower energies in order to avoid multiple-beam diffraction effects. Following previous work by the authors [Honnicke, Conley, Cusatis, Kakuno, Zhou, Bouet, Marques & Vicentin (2014). J. Appl. Cryst.47, 1658-1665], herein efforts are directed towards characterizing the residual XBD beam of an ultra-thin Si 220 crystal (UTSiXTAL) at similar to 3.2 keV. To achieve the residual XBD condition the UTSiXTAL was cooled from 310 to 273 K. The results indicate that under this extreme condition the energy resolution can be further improved. Issues with the energy resolution measurements due to incoming beam divergence and the ultra-thin crystal flatness are discussed.
Effects of Laser Energy and Wavelength on the Analysis of LiFePO4 Using Laser Assisted Atom Probe Tomography
The effects of laser wavelength (355 nm and 532 nm) and laser pulse energy on the quantitative accuracy of atom probe tomography (APT) examinations of LiFePO4 (LFP) are considered. A systematic investigation of ultraviolet (UV, 355 nm) and green (532 nm) laser assisted APT of LFP has revealed distinctly different behaviors. With the use of UV laser the major issue was identified as the preferential loss of oxygen (up to 10 at. %) while other elements (Li, Fe and P) were observed to be close to nominal ratios. Lowering the laser energy per pulse to 1 pJ increased the observed oxygen concentration to near its correct stoichiometry and was well correlated with systematically higher concentrations of 16O2+ ions. This observation supports the premise that lower laser energies lead to a higher probability of oxygen molecule ionization. Conversely, at higher laser energies the resultant lower effective electric field reduces the probability of oxygen molecule ionization. Green laser assisted field evaporation led to the selective loss of Li (~50% deficiency) and correct ratios of the remaining elements, including the oxygen concentration. The loss of Li is explained by selective dc evaporation of lithium between laser pulses and relatively negligible oxygen loss as neutrals during green-laser pulsing. Lastly, plotting of multihit events on a Saxey plot for the straight-flight path data (green laser only) revealed a surprising dynamic recombination process for some molecular ions mid-flight.
Informing energy consumption uncertainty: an analysis of energy data revisions
Quality energy consumption data are important for many types of analysis, and global data sets estimate trends of county level energy consumption, derived from country reported data and regional reports. We present a novel basis for informing uncertainty in energy data by quantifying the changes in reported energy consumption as countries update their previously reported data. We use 17 editions of the British Petroleum World Energy Statistics (2001-2017) to evaluate how reported energy consumption is revised over time in aggregate coal, oil, and natural gas consumption data. We find that 70% of non-zero data points are adjusted by an average of 1.3% of a country’s total fossil fuel use in the year after their first publication. Earlier data points are revised less often, but almost half of historical trends contain some revisions in later years. The size and rate of data revisions vary over countries and fuels: coal data points have larger, less frequent revisions while oil data points have smaller more frequent revisions, with natural gas in between. A K-means cluster analysis was performed to group together countries with similar revision patterns. These groups span income, economy classification, OECD membership, and regions. Standard country groupings, therefore, do not predict the extent to which a country's energy data has undergone revisions in the past.
Value of Compressed Air Energy Storage in Energy and Reserve Markets
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Moiré deflectometry using the Talbot-Lau interferometer as refraction diagnostic for High Energy Density plasmas at energies below 10 keV
The highly localized density gradients expected in High Energy Density (HED) plasma experiments can be characterized by x-ray phase-contrast imaging in addition to conventional attenuation radiography. Moiré deflectometry using the Talbot-Lau grating interferometer setup is an attractive HED diagnostic due to its high sensitivity to refraction induced phase shifts. We report on the adaptation of such a system for operation in the sub-10 keV range by using a combination of free standing and ultrathin Talbot gratings. This new x-ray energy explored matches well the current x-ray backlighters used for HED experiments, while also enhancing phase effects at lower electron densities. We studied the performance of the high magnification, low energy Talbot-Lau interferometer, for single image phase retrieval using Moiré fringe deflectometry. Our laboratory and simulation studies indicate that such a device is able to retrieve object electron densities from phase shift measurements. Using laboratory x-ray sources from 7 to 15 μm size we obtained accurate simultaneous measurements of refraction and attenuation for both sharp and mild electron density gradients.
Regulators’ Energy Transition Primer: Economic Impacts of the Energy Transition on Energy Communities, Environmental Justice Considerations, and Implications on Clean Energy Jobs
Applications of new technology, such as horizontal drilling and hydraulic fracturing, enabled the United States to significantly increase its production of oil and natural gas during the last decade—the “Shale Gas Revolution.” As natural gas began to dominate the market with abundant supply and low prices, coal production and consumption have declined. Concurrently, the competitiveness of renewable energy and energy storage has climbed sharply, and analysts expect to see continued reductions in fossil fuel use in the coming decades. Many of these changes have been driven by market forces (i.e., low-cost natural gas and renewables), but current and future policy decisions aimed at tackling climate change concerns and reducing greenhouse gas emissions will also shape the future of the energy sector. This transition to low-carbon fuels has created both opportunities for clean energy technologies and challenges for communities traditionally dependent on fossil fuel-related industries. The power sector’s ongoing shift away from coal has left many coal miners and coal-fired power plant employees unemployed and often unprepared for jobs in other industries, including growing clean energy fields. This primer focuses on the declining coal industry, impacts on communities and workers, opportunities to transition workers who have lost their jobs to clean energy and other related sectors (including hydrogen-oriented jobs), recruitment and training strategies, and available programs and actions to make the shift to a low-carbon economy in a fair, just, and equitable manner by engaging the resources of federal and state governments, as well as the private sector.
DISCOVERY OF HIGH-ENERGY AND VERY HIGH ENERGY {gamma}-RAY EMISSION FROM THE BLAZAR RBS 0413
We report on the discovery of high-energy (HE; E > 0.1 GeV) and very high energy (VHE; E > 100 GeV) {gamma}-ray emission from the high-frequency-peaked BL Lac object RBS 0413. VERITAS, a ground-based {gamma}-ray observatory, detected VHE {gamma} rays from RBS 0413 with a statistical significance of 5.5 standard deviations ({sigma}) and a {gamma}-ray flux of (1.5 {+-} 0.6{sub stat} {+-} 0.7{sub syst}) Multiplication-Sign 10{sup -8} photons m{sup -2} s{sup -1} ({approx}1% of the Crab Nebula flux) above 250 GeV. The observed spectrum can be described by a power law with a photon index of 3.18 {+-} 0.68{sub stat} {+-} 0.30{sub syst}. Contemporaneous observations with the Large Area Telescope (LAT) on the Fermi Gamma-ray Space Telescope detected HE {gamma} rays from RBS 0413 with a statistical significance of more than 9{sigma}, a power-law photon index of 1.57 {+-} 0.12{sub stat}+{sup 0.11}{sub -0.12sys}, and a {gamma}-ray flux between 300 MeV and 300 GeV of (1.64 {+-} 0.43{sub stat}{sup +0.31}{sub -0.22sys}) Multiplication-Sign 10{sup -5} photons m{sup -2} s{sup -1}. We present the results from Fermi-LAT and VERITAS, including a spectral energy distribution modeling of the {gamma}-ray, quasi-simultaneous X-ray (Swift-XRT), ultraviolet (Swift-UVOT), and R-band optical (MDM) data. We find that, if conditions close to equipartition are required, both the combined synchrotron self-Compton/external-Compton and the lepto-hadronic models are preferred over a pure synchrotron self-Compton model.
Energy-loss- and thickness-dependent contrast in atomic-scale electron energy-loss spectroscopy
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Hardness assurance for proton direct ionization-induced SEEs using a high-energy proton beam
The low-energy proton energy spectra of all shielded space environments have the same shape. This shape is easily reproduced in the laboratory by degrading a high-energy proton beam, producing a high-fidelity test environment. We use this test environment to dramatically simplify rate prediction for proton direct ionization effects, allowing the work to be done at high-energy proton facilities, on encapsulated parts, without knowledge of the IC design, and with little or no computer simulations required. Proton direct ionization (PDI) is predicted to significantly contribute to the total error rate under the conditions investigated. Scaling effects are discussed using data from 65-nm, 45-nm, and 32-nm SOI SRAMs. These data also show that grazing-angle protons will dominate the PDI-induced error rate due to their higher effective LET, so PDI hardness assurance methods must account for angular effects to be conservative. As a result, we show that this angular dependence can be exploited to quickly assess whether an IC is susceptible to PDI.