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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
NASA NTRS2003

Limitation of Ground-based Estimates of Solar Irradiance Due to Atmospheric Variations

The uncertainty in ground-based estimates of solar irradiance is quantitatively related to the temporal variability of the atmosphere's optical thickness. The upper and lower bounds of the accuracy of estimates using the Langley Plot technique are proportional to the standard deviation of aerosol optical thickness (approx. +/- 13 sigma(delta tau)). The estimates of spectral solar irradiance (SSI) in two Cimel sun photometer channels from the Mauna Loa site of AERONET are compared with satellite observations from SOLSTICE (Solar Stellar Irradiance Comparison Experiment) on UARS (Upper Atmospheric Research Satellite) for almost two years of data. The true solar variations related to the 27-day solar rotation cycle observed from SOLSTICE are about 0.15% at the two sun photometer channels. The variability in ground-based estimates is statistically one order of magnitude larger. Even though about 30% of these estimates from all Level 2.0 Cimel data fall within the 0.4 to approx. 0.5% variation level, ground-based estimates are not able to capture the 27-day solar variation observed from SOLSTICE.

Wen, Guoyong↗
DOE OSTI2019

Annual Status Report (FY 2018): Performance Assessment for the Disposal of Low-Level Waste in the 200 East Area Burial Grounds (Rev. 0)

This annual review provides the projected dose estimates of radionuclide inventories disposed in the active 200 East Area Low-Level Waste Burial Grounds (LLBGs) since September 26, 1988. These estimates are calculated using the original dose methodology developed in the performance assessment (PA) analysis. The estimates are compared with performance objectives defined in U.S. Department of Energy (DOE) requirements (DOE O 435.1 Chg 1 and companion documents DOE M 435.1-1 Chg 1 and DOE G 435.1-1). All performance objectives are currently satisfied, and operational waste acceptance criteria and waste acceptance practices continue to be sufficient to maintain compliance with performance objectives. Inventory estimates and associated dose estimates from future waste disposal actions are unchanged from previous years' evaluations that indicate potential impacts well below performance objectives; therefore, future compliance with DOE O 435.1 Chg 1 is expected. Within the active burial grounds, low-level waste and mixed low-level waste currently may be disposed only in the dedicated U.S. Navy reactor compartment trench in the 218-E-12B Burial Ground (Trench 94). Naval reactor compartment disposal at Trench 94 will continue. During this reporting period (fiscal year 2018, from October 1, 2017, through September 30, 2018), two reactor compartments were disposed in Trench 94. Results from multi-year diffusion experiments are summarized for this reporting period to quantify the efficacy of concrete waste forms in retaining key radionuclides (e.g., uranium-238, technetium-99, and iodine-129). The results of sorption experiments initiated in FY 2017 to evaluate sorption coefficients for iodine and technetium are also summarized. The test durations ranged from 1 to 6 months. Continued groundwater monitoring of the 200 East Area LLBGs indicates no groundwater contamination due to LLBG waste. Current assumptions about future land use at the Hanford Site are consistent with PA analysis assumptions of a post-closure facility that will not be degraded by human activity. The LLBGs are located in an area identified for waste management and containment of residual contamination. This area will remain after final environmental remediation and the proposed shrinkage of Hanford Site boundaries to small sections within the 200 East Area and 200 West Area in the Central Plateau. Overall, there are no substantive changes to primary PA assumptions and no changes to the PA analysis conclusion; therefore, compliance with DOE O 435.1 Chg 1 is being maintained.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2023

Performance Assessment for the Disposal of Low-Level Waste in the 200 West Area Burial Grounds (Annual Status Report FY 2022)

This annual review provides the projected dose estimates of radionuclide inventories disposed in the active 200 West Area Low-Level Waste Burial Grounds (LLBGs) since September 26, 1988. These estimates are calculated using the original dose methodology developed in the performance assessment (PA) analysis (WHC-EP-0645). The estimates are compared with the performance objectives defined in U.S. Department of Energy requirements (DOE O 435.1 and its companion documents DOE M 435.1-1 and DOE-STD-5002-2017). All performance objectives are currently satisfied, and operational waste acceptance criteria (HNF-EP-0063) and waste acceptance practices continue to be sufficient to maintain compliance with performance objectives. Inventory estimates and associated dose estimates from future waste disposal actions are unchanged from previous years’ evaluations that indicate potential impacts well below performance objectives; therefore, future compliance with DOE O 435.1 is expected. Within the active burial grounds, low-level and mixed low-level waste currently may be disposed only in two lined trenches in the 218-W-5 Burial Ground (Trenches 31 and 34) until they are either filled or a decision is made to close these trenches. Some mixed low-level waste is also disposed at the Environmental Restoration Disposal Facility in the 200 West Area (which is covered under a separate PA). During this (fiscal year 2022) reporting period (October 1, 2021, through September 30, 2022), waste was disposed to the 200 West Area LLBGs. Continued groundwater monitoring of the 200 West Area LLBGs indicates no groundwater contamination due to LLBG waste. Current assumptions about future land use at the Hanford Site are consistent with PA analysis assumptions of a postclosure facility that will not be degraded by human activity. The LLBGs are in an area identified for waste management and containment of residual contamination (DOE/EIS-0391). The current closure plan for the LLBGs (DOE/RL-2000-70) estimates that the 200 West LLBGs will be closed in the 2050 timeframe. The Disposal Authorization Statement, other technical basis documents, and the radioactive waste management basis are of continued adequacy to meet the performance objectives of DOE O 435.1. Overall, there are no substantive changes to primary PA assumptions and no changes to the PA analysis conclusion; therefore, compliance with DOE O 435.1 and the Disposal Authorization Statement is maintained. A new PA to evaluate the long-term impacts of three disposal trenches that are currently active within the 200 East and 200 West Areas (Trench 94 in the 200 East Area and Trenches 31 and 34 in the 200 West Area) was initiated in fiscal year 2019 and completed in fiscal year 2022. Corrective actions addressing 3 key issues and 31 secondary issues identified during the review process were developed and submitted to the Low-Level Waste Disposal Facility Federal Review Group Co-Chairs for review and approval. This PA provides additional technical basis for the continued adequacy of the existing Operating Disposal Authorization Statement.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

Semimetallic transport properties of epitaxially stabilized perovskite CaIrO{sub 3} films

We report on the synthesis and transport properties of perovskite (Pv) CaIrO{sub 3} thin films. The Pv phase of CaIrO{sub 3} was stabilized by epitaxial growth on SrTiO{sub 3}, (LaAlO{sub 3}){sub 0.3}(Sr{sub 2}AlTaO{sub 6}){sub 0.7}, and LaAlO{sub 3} substrates with strong tensile, weak tensile, and compressive strains, respectively. The resistivity of these films showed a poorly metallic behavior. The Hall resistivity exhibited a sign change as a function of temperature and a nonlinear magnetic-field dependence, which clearly indicated the coexistence of electrons and holes and hence supported that Pv CaIrO{sub 3} films are semimetallic. The observed robustness of the semimetallic ground state against tensile and compressive strains is consistent with the presence of symmetry-protected Dirac points (nodes) around the Fermi level that prohibits the system from becoming a band insulator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Hydrostatic Level Sensors as High Precision Ground Motion Instrumentation for Tevatron and Other Energy Frontier Accelerators

Particle accelerators require very tight tolerances on the alignment and stability of their elements: magnets, accelerating cavities, vacuum chambers, etc. In this article we describe the Hydrostatic Level Sensors (HLS) for very low frequency measurements used in a variety of facilities at Fermilab. We present design features of the sensors, outline their technical parameters, describe their test and calibration procedures, discuss different regimes of operation and give few illustrative examples of the experimental data. Detail experimental results of the ground motion measurements with these detectors will be presented in subsequent papers.

43 PARTICLE ACCELERATORS↗
DOE OSTI2011

Many-Body Spin Interactions and the Ground State of a Dense Rydberg Lattice Gas

We study a one-dimensional atomic lattice gas in which Rydberg atoms are excited by a laser and whose external dynamics is frozen. We identify a parameter regime in which the Hamiltonian is well approximated by a spin Hamiltonian with quasilocal many-body interactions which possesses an exact analytic ground state solution. This state is a superposition of all states of the system that are compatible with an interaction induced constraint weighted by a fugacity. We perform a detailed analysis of this state which exhibits a crossover between a paramagnetic phase with short-ranged correlations and a crystal. This study also leads us to a class of spin models with many-body interactions that permit an analytic ground state solution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Structural, electronic and elastic properties of REIr{sub 2} (RE=La and Ce) Laves phase compounds

REIr{sub 2} (RE = La and Ce) Laves phase intermetallic compounds were investigated with respect to their structural, electronic and elastic properties using full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation (GGA) as implemented in WIEN2k code. The ground state properties such as lattice constants (a{sub 0}), bulk modulus (B), pressure derivative of bulk modulus (B′) and density of state at Fermi level N(E{sub F}) have been obtained by optimization method. The electronic structure (BS, TDOS and PDOS) reveals that these Laves phase compounds are metallic in nature. The calculated elastic constants indicate that these compounds are mechanically stable at ambient pressure and found to be ductile in nature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1976

Spacelab operations planning

The paper reviews NASA planning in the fields of ground, launch and flight operations and experiment integration to effectively operate Spacelab. Payload mission planning is discussed taking consideration of orbital analysis and the mission of a multiuser payload which may be either single or multidiscipline. Payload analytical integration - as active process of analyses to ensure that the experiment payload is compatible to the mission objectives and profile ground and flight operations and that the resource demands upon Spacelab can be satisfied - is considered. Software integration is touched upon and the major integration levels in ground operational processing of Spacelab and its experimental payloads are examined. Flight operations, encompassing the operation of the Space Transportation System and the payload, are discussed as are the initial Spacelab missions. Charts and diagrams are presented illustrating the various planning areas.

Lee, T. J.↗
DOE OSTI2014

The vibrational dependence of dissociative recombination: Rate constants for N{sub 2}{sup +}

Dissociative recombination rate constants are reported with electron temperature dependent uncertainties for the lowest 5 vibrational levels of the N{sub 2}{sup +} ground state. The rate constants are determined from ab initio calculations of potential curves, electronic widths, quantum defects, and cross sections. At 100 K electron temperature, the rate constants overlap with the exception of the third vibrational level. At and above 300 K, the rate constants for excited vibrational levels are significantly smaller than that for the ground level. It is shown that any experimentally determined total rate constant at 300 K electron temperature that is smaller than 2.0 × 10{sup −7} cm{sup 3}/s is likely to be for ions that have a substantially excited vibrational population. Using the vibrational level specific rate constants, the total rate constant is in very good agreement with that for an excited vibrational distribution found in a storage ring experiment. It is also shown that a prior analysis of a laser induced fluorescence experiment is quantitatively flawed due to the need to account for reactions with unknown rate constants. Two prior calculations of the dissociative recombination rate constant are shown to be inconsistent with the cross sections upon which they are based. The rate constants calculated here contribute to the resolution of a 30 year old disagreement between modeled and observed N{sub 2}{sup +} ionospheric densities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Using ground state and excited state density functional theory to decipher 3d dopant defects in GaN

Abstract Using ground state density functional theory (DFT) and implementing an occupation-constrained DFT (occ-DFT) for self-consistent excited state calculations, we decipher the electronic structure of the Mn dopant and other 3 d defects in GaN across the band gap. Our analysis, validated with broad agreement with defect levels (ground-state calculations) and photoluminescence data (excited-state calculations), mandates reinterpretation and reassignment of 3 d defect data in GaN. The Mn Ga defect is determined to span stable charge states from (1−) in n -type GaN through (2+) in p -type GaN. The Mn(2+) is predicted to be a d 2 ground state spin triplet defect with a singlet excited state, isoelectronic with the defect associated with the 1.19 eV photoluminescence in n -type GaN. The combined analysis of defect levels and excited states invites reassessment of all d 2 -capable dopants in GaN. We demonstrate that the 1.19 eV defect, a candidate defect for optically controlled quantum applications, cannot be the Cr(1+) assumed in literature and instead must be the V(0). The combined ground-state/excited-state DFT analysis is shown to be able to chemically fingerprint defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

A multi-data set comparison of the vertical structure of temperature variability and change over the Arctic during the past 100 years

We compare the daily, interannual, and decadal variability and trends in the thermal structure of the Arctic troposphere using eight observation-based, vertically resolved data sets, four of which have data prior to 1948. Comparisons on the daily scale between historical reanalysis data and historical upper-air observations were performed for Svalbard for the cold winters 1911/1912 and 1988/1989, the warm winters 1944/1945 and 2005/2006, and the International Geophysical Year 1957/1958. Excellent agreement is found at mid-tropospheric levels. Near the ground and at the tropopause level, however, systematic differences are identified. On the interannual time scale, the correlations between all data sets are high, but there are systematic biases in terms of absolute values as well as discrepancies in the magnitude of the variability. The causes of these differences are discussed. While none of the data sets individually may be suitable for trend analysis, consistent features can be identified from analyzing all data sets together. To illustrate this, we examine trends and 20-year averages for those regions and seasons that exhibit large sea-ice changes and have enough data for comparison. In the summertime Pacific Arctic and the autumn eastern Canadian Arctic, the lower tropospheric temperature anomalies for the recent two decades are higher than in any previous 20-year period. In contrast, mid-tropospheric temperatures of the European Arctic in the wintertime of the 1920s and 1930s may have reached values as high as those of the late 20th and early 21st centuries.

Meteorology & Atmospheric Sciences↗
NASA NTRS2018

Quantitative validation of Ames IR intensity and new line lists for (32/33/34)S(16)O2, (32)S(18)O2 and (16)O(32)S(18)O

The quality of Ames-296K SO2 Infrared (IR) line list intensities is first validated by quantitative exploration of several dipole moment surfaces (DMSs) and partition sum convergence. The DMSs are computed with several of Dunning’s correlation-consistent basis sets and their vibrational dependence are compared to the empirical model derived from Stark effect experiments reported by D. Patel, D. Margolese, and T.R. Dykea [J.Chem.Phys. 70, 2740 (1979)]. The effective dipole deviations from the DMS adopted in the Ames IR lists is 0.2-0.4% for vibrational states up to 3v3. The vibrational dependence of the dipole moment is also in good agreement, except for nv1. Partition sum convergence at 296K is confirmed by new calculations with rotational quantum number J up to 150 and upper state E’ up to 8000 cm-1. The isotopologue consistency of the Ames IR line lists is superior relative to the regular Effective Hamiltonian (EH) models and Effective Dipole Moment (EDM) models. The v1+v2 and v2+v3 intensity consistency check reveals the recently reported experimental intensities need significant improvement or re-analysis. After the accuracy, convergence, and isotopologue consistency have been confirmed, the theoretical Ames-296K intensities are combined with the experimental line positions or EH models that experimental spectroscopists published after 2009. Three high-resolution IR line sets are reported for the (32/33/34)S(16)O2, (32)S(18)O2 and (16)O(32)S(18)O isotopologues: (1) the “New Lines Sets” include experimentally measured line positions; (2) the “Expanded Line Sets” include possible transitions among new rovibrational levels assigned in experiments and ground state (GS) levels predicted by reliable EH models; (3) the “Ames + MARVEL Sets” include possible transitions among all those levels reported in a recent MARVEL analysis. [Tóbiás et al, JQSRT 208, 152 (2018)]. Compared to the limited data in High-resolution TRANsmission molecular absorption database (HITRAN), these line sets have significantly improved the data coverage up to 4000 cm-1. Some missing bands can be traced to the unpublished experimental data. The isotopologue consistency of these line sets will help identify the uncertainties and defects in the experimental EH and EDM models. These line sets are good candidates for the next HITRAN update, if line shape parameters are available. The line sets can be downloaded from supplementary files or from the Ames Molecular Spectroscopic Database at http://huang.seti.org.

Xinchuan Huang↗
DOE OSTI2015

Structural and electronic properties of XSi{sub 2} (X = Cr, Mo, and W)

The structural and electronic properties of metal silicides XSi{sub 2} (X = Cr, Mo, and W), which crystallize in tetragonal structure, are investigated systematically using the first-principle density functional theory. The total energies are computed as a function of volume and fitted to the Birch equation of state. The ground-state properties such as equilibrium lattice constants a{sub 0} and c{sub 0}, bulk modulus B, its pressure derivative B, B′, and the density of states at the Fermi level, N(E{sub F}), are calculated and compared with other experimental and theoretical results, showing good agreement. The calculated band structure indicates that XSi{sub 2} compounds are semimetallic in nature. From the present study, we predict the structural and electronic properties of CrSi{sub 2} in the tetragonal phase and indicate that CrSi{sub 2} is energetically more stable than MoSi{sub 2} and WSi{sub 2}. Analyzing the bonding properties of the three metal silicides, we observe that WSi{sub 2} has a strong covalent bonding due to W 5d electrons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Synchrotron-based far infrared study of the rotation-vibration-inversion spectrum of silacyclobutane below 500 cm{sup −1}: The ν{sub 29} and ν{sub 30} bands

Fourier transform spectra of the four-membered heterocycle silacyclobutane (c-C{sub 3}H{sub 8}Si) were recorded in the far infrared region from 100 to 500 cm{sup −1} with a maximum resolution of 0.000959 cm{sup −1} using synchrotron radiation from the Canadian Light Source. The two fundamental bands observed in this region correspond to motions best described as the out-of-plane modes related to ring puckering (ν{sub 30}) at ∼158 cm{sup −1} and SiH{sub 2} rocking (ν{sub 29}) at ∼410 cm{sup −1}. Both bands exhibit complex, dense spectral patterns that arise from ring inversion tunneling of the puckered SCB ring through a planar (C{sub 2v}) intermediate configuration. Analysis of these patterns revealed rotation-vibration transitions between states of the same inversion symmetry as well as rotation-vibration-inversion transitions that connect states of different inversion symmetry. Infrared ground state combination differences from 1871 pairs of P and R branch transitions were used to accurately determine the spectroscopic parameters for the tunneling-doubled ground state based on a broad range of quantum levels. With the ground state energy levels well-determined, 8255 infrared transitions were assigned and analyzed to derive the band centers, rotational and centrifugal distortion constants for the inversion split ν{sub 29} and ν{sub 30} vibrational states. Comparison with the band centers predicted via DFT (B3LYP) and MP2 calculations [6-311++G(2d,2p)] suggests that anharmonic corrections found via perturbation theory typically agree within 2% when compared with the observed spectrum of SCB.

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

Meteorological, reference evapotranspiration and estimated transpiration data, July 2020-Dec 2021, Slate River Floodplain, Crested Butte, Colorado

This data package includes a time series of meteorological data (air temperature, relative humidity, barometric pressure, precipitation, wind speed, soil heat flux, incoming shortwave radiation, incoming longwave radiation, outgoing shortwave radiation and outgoing longwave radiation) from the Slate River floodplain outside Crested Butte, Colorado, a focus field site for the SLAC Floodplain Hydro-Biogeochemistry SFA. The data was generated as part of the work targeting the overarching research question for the SLAC SFA: How do ubiquitous subsurface interfaces mediate molecular-scale biogeochemical processes and groundwater quality in floodplains and watersheds? The package also includes reference evapotranspiration calculated via the Penman-Monteith equation and an estimate of willow (Salix spp.) evapotranspiration using the method of Irmak et al., J. Hydrology, 2013. Due to two malfunctioning sensors (incoming shortwave radiation from Oct 2020-May 2021 and incoming longwave radiation from May 2021-March 2022), observed net radiation and calculated evapotranspiration are only included from July-October 2020. However, users may be able to extend calculated evapotranspiration using estimates of these two parameters from other sources. Both sensors have been replaced and data beyond 2021 be uploaded to this repository when it is available.Within the data package, "FLMD.csv" describes file-level metadata and "dd.csv" defines column headers and universal terms across the dataset. The data package includes 3 "*data.csv" files, two for meteorological data for 2020 and 2021 and one for reference evapotranspiration and transpiration data from 2020 ("SLT_OBJ2_PenmanMonteith_2020_data.csv"). Each "*data.csv" file of meteorological data has a corresponding "*_InstallationMethods.csv" file that describes the location, sensor model, sensor serial number and other metadata corresponding to each measured parameter. We also include a Jupyter notebook ("PenmanMonteithET_Calculations.ipynb") that details the assumptions and equations used to calculate daily and hourly reference evapotranspiration and daily willow transpiration from raw meteorological data.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Optical pumping of ultracold thulium atoms to a lower level of the clock transition and study of their depolarisation

The atomic energy levels corresponding to states with the zero projection of the total angular momentum have a weak sensitivity to certain sources of shifts and, therefore, are widely used in precision spectroscopy. The optical pumping of ultracold thulium atoms to the ground state level with the zero projection of the total angular momentum is described. The population dynamics of this state due to magnetic dipole − dipole interaction in an external magnetic field is studied. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Experimental and Computational Description of the Interaction of H and H – with U

In this work, the results of ab initio correlated molecular orbital theory electronic structure calculations for low-lying electronic states are presented for UH and UH – and compared to photoelectron spectroscopy measurements. The calculations were performed at the CCSD(T)/CBS and multireference CASPT2 including spin–orbit effects by the state interacting approach levels. The ground states of UH and UH – are predicted to be 4 Ι 9/2 and 5 Λ 6 , respectively. The spectroscopic parameters T e , r e , ω e , ω e x e , and Be were obtained, and potential energy curves were calculated for the low energy Ω states of UH. The calculated adiabatic electron affinity is 0.468 eV in excellent agreement with an experimental value of 0.462 ± 0.013 eV. The lowest vertical detachment energy was predicted to be 0.506 eV for the ground state, and the adiabatic ionization energy (IE) is predicted to be 6.116 eV. The bond dissociation energy (BDE) and heat of formation values of UH were obtained using the IE calculated at the Feller–Peterson–Dixon level. For UH, UH – , and UH + , the BDEs were predicted to be 225.5, 197.9, and 235.5 kJ/mol, respectively. The BDE for UH is predicted to be ~20% lower in energy than that for ThH. The analysis of the natural bond orbitals shows a significant U + H – ionic component in the bond of UH.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗