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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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48 records · Page 3
All sourcesNASA NTRSDOE OSTI
NASA NTRS1996

Model Stellar Atmospheres and Real Stellar Atmospheres and Status of the ATLAS12 Opacity Sampling Program and of New Programs for Rosseland and for Distribution Function Opacity

I discuss errors in theory and in interpreting observations that are produced by the failure to consider resolution in space, time, and energy. I discuss convection in stellar model atmospheres and in stars. Large errors in abundances are possible such as the factor of ten error in the Li abundance for extreme Population II stars. Finally I discuss the variation of microturbulent velocity with depth, effective temperature, gravity, and abundance. These variations must be dealt with in computing models and grids and in any type of photometric calibration. I have also developed a new opacity-sampling version of my model atmosphere program called ATLAS12. It recognizes more than 1000 atomic and molecular species, each in up to 10 isotopic forms. It can treat all ions of the elements up through Zn and the first 5 ions of heavier elements up through Es. The elemental and isotopic abundances are treated as variables with depth. The fluxes predicted by ATLAS12 are not accurate in intermediate or narrow bandpass intervals because the sample size is too small. A special stripped version of the spectrum synthesis program SYNTHE is used to generate the surface flux for the converged model using the line data on CD-ROMs 1 and 15. ATLAS12 can be used to produce improved models for Am and Ap stars. It should be very useful for investigating diffusion effects in atmospheres. It can be used to model exciting stars for H II regions with abundances consistent with those of the H II region. These programs and line files will be distributed on CD-ROMs.

Kurucz, Robert L.↗
NASA NTRS2000

BOREAS TE-5 Diurnal CO2 Canopy Profile Data

The BOREAS TE-5 team collected several data sets to investigate the vegetation-atmosphere CO2 and H2O exchange processes. These data were collected to provide detailed information within the canopy during times when TE-05 sampled canopy CO2 for carbon and oxygen isotope analysis. These measurements were made in both the NSA and SSA at the OJP, OBS, UBS, and OA sites from 25-May1994 to 08-Sep1994. CO2 profile data were not collected at SSA-OA during the first IFC. The data are available in tabular ASCII files. The data files are available on a CD-ROM (see document number 20010000884), or from the Oak Ridge National Laboratory (ORNL) Distributed Activity Archive Center (DAAC).

Hall, Forrest G.↗
DOE OSTI2022

Maximum Likelihood Spectrum Decomposition for Isotope Identification and Quantification

A spectral decomposition method has been implemented to identify and quantify isotopic source terms in high-resolution gamma-ray spectroscopy in static geometry and shielding scenarios. Monte Carlo simulations were used to build the response matrix of a shielded high-purity germanium detector monitoring an effluent stream with a Marinelli configuration. The decomposition technique was applied to a series of calibration spectra taken with the detector using a multi-nuclide standard. These results are compared with decay-corrected values from the calibration certificate. For most nuclei in the standard ( 241 Am, 109 Cd, 137 Cs, and 60 Co), the deviations from the certificate values were generally no more than 6% with a few outliers as high as 10%. Furthermore, for 57 Co, the radionuclide with the lowest activity, the deviations from the standard reached as high as 25%, driven by the meager statistics in the calibration spectra. In addition, a complete treatment of error propagation for the technique is presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2018

Assessment of Volatile Depletion Mechanisms for the Moon - Pre-Cursors, Giant Impact, Core Formation, Post-Impact Loss

The volatile element depletions in the Moon have been recognized for decades. Multiple explanations have been debated, and arguments have become more quantitative, in large part due to new elemental partitioning and isotopic data. Depletions in pre-cursor materials and due to post-accretion degassing have been evaluated using isotopic data. Partitioning of many volatile elements into metallic cores can now be evaluated for many volatile siderophile elements (VSE). Here is presented an evaluation of the role of core formation for 12 volatile siderophile elements for which partitioning data is now available. Examination of all 12 elements at once allows recognition of general trends, without undue focus on one element. Ga, Ge, Zn, Sn, As, Sb, Cd, Ag, Bi, P, In, Cu are all moderately to highly volatile, and will be discussed in their order of volatility as gauged by their 50 percent condensation temperature.

Righter, K.↗
NASA NTRS2019

Volatile Element Depletion of the Moon – The Roles of Pre-Cursors, Post-Impact Disk Dynamics, and Core Formation

The compositional and isotopic similarity of Earth’s primitive upper mantle (PUM) and the Moon has bolstered the idea that the Moon was derived from the proto-Earth, but the Moon’s inventory of volatile lithophile elements – Na, K, Rb and Cs – are lower than in Earth’s PUM by a factor of 4 to 5. The abundances of fourteen other volatile elements exhibit siderophile behavior (volatile siderophile elements or VSE; P, As, Cu, Ag, Sb, Ga, Ge, Bi, Pb, Zn, Sn, Cd, In, and Tl) that could be used to evaluate whether the Moon was derived from the proto-Earth, and whether their depletion can be attributed to volatility or core formation. In this study, newly available core-mantle partitioning data are used, together with bulk Moon compositions, protolunar disk dynamics modelling to test the hypothesis that the Moon was derived from PUM-like material. At lunar core formation conditions, As, Sb, Ag, Ge, Bi, Sn are siderophile, whereas P, Cu, Ga, Pb, Zn, Cd, In and Tl are all weakly siderophile or lithophile. Most of the VSE can be explained by a combination of known processes – pre-cursor volatile depletion, melt-gas dynamics and equilibria in the protolunar disk, and core formation. Explaining this whole group of volatile elements may require a combination of mixing and separation of the newly formed Moon from remnant gas rich in the highest volatility VSEs. This large group of volatile elements informs a wide temperature range and offers a powerful test of melt-gas segregation mechanisms in the protolunar disk and lunar formation hypotheses.

Righter, K.↗
NASA NTRS1980

Thermal metamorphism of primitive meteorites. XI - The enstatite meteorites: Origin and evolution of a parent body

The neutron activation data for Ag, As, Bi, Cd, Co, Cs, Cu, Ga, In, Rb, Se, Te, Tl, and Zn were obtained in samples of Abee heated to 1000-1400 C at low pressures. In addition, these elements were reported in nine enstatite achondrites and in the silicate part of the Mt. Egerton stony-iron. The data show trace element losses above 1000 C by diffusion-controlled processes with apparent activation energies of 8 to 55 kcal/mol; these data together with abundances of aubrites, Mt. Egerton, and E4-6 chondrites, and isotopic results link all enstatite meteorites to a common parent body. The data also indicate that aubrites and the Mt. Egerton material reflect fractional crystallization of a magma produced from enstatite chondrite-like parent material (E6) and the late introduction of chalcophiles and mobile elements transported by an FeS-Fe eutectic from an E4-6 region undergoing open-system metamorphism.

Biswas, S.↗
NASA NTRS1994

Infrared CO line for the X 1 Sigma(+) state

A complete line list with improved accuracy for all the rotation-vibration transitions of the fundamental, first, and second overtone bands up to v = 20 and J = 149 of the gradual state X 1 Sigma(+) of the seven CO isotopes -- (12)C(16)O, (13)C(16)O, (12)C(17)O, (12)C(18)O, (13)C(18)O, (14)C(16)O, and (13)c(17)O -- is made available to the astronomical community. A line list of the pure rotational transitions up to v = 5 and J = 60 is also made available for these seven isotopes. This line list contains the transition frequency, the lower state energy, the Einstein A-value, the g f-value, the transition strength at 3000 K or 1000 K for the pure rotational transitions, the expectation value of the effective dipole moment operator, and the quantum numbers of each transition. Individual partition functions are reported in the temperature range of 500 to 10,000 K. This line list is available as four text files from the author using an anonymous file transfer protocol (ftp) transfer and in computer-readable form in the AAS CD-ROM Series, Vol. 3.

Goorvitch, D.↗
DOE OSTI2023

Role of Transition Metals in Metal–Organic Frameworks as Nanoporous Ion Emitters for Thermal Ionization Mass Spectrometry

Thermal ionization mass spectroscopy (TIMS) is a powerful analytical technique that allows for precise determination of isotopic ratios. Analysis on low abundance samples, however, can be limited by the ionization efficiency. Following an investigation into a new type of metal-organic hybrid material devised to promote the emission of analyte ions (nano-PIES) and reduce traditional sample loading problems, this work probes the impact that changing the metal in the material has on the ionization of Uranium-238. Being derived from metal-organic frameworks (MOFs), nano-PIEs inherit the tunability of the parent MOFs; the MOF-74 series has been well studied for probing the impact various framework metals (i.e., Mg, Mn, Co, Ni, Cu, Zn, and Cd) have on material properties, and thus, a series of nano-PIEs with different metals were derived from an isoreticular MOF-74 series. In conclusion, trends in ionization efficiency were studied as a function of ionization potential, volatility, and work function of the framework metals as well as the mechanism of ionization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2004

The Abundance and Isotopic Composition of Hg in Extraterrestrial Materials

During the past three year grant period we made excellent progress in our study of the abundances and isotopic compositions of Hg and other volatile trace elements in extraterrestrial materials. As part of my startup package I received funds to construct a state-of-the-art experimental facility to study gas-solid reaction kinetics. Much of our effort was spent developing the methodology to measure the abundance and isotopic composition of Hg at ultratrace levels in solid materials. In our first study, the abundance and isotopic composition of Hg was determined in bulk samples of the Murchison (CM) and Allende (CV) carbonaceous chondrites. We have continued our study of mercury in primitive meteorites and expanded the suite of meteorites to include other members of the CM and CV chondrite group as well as CI and CO chondrites. Samples of the CI chondrite Orgueil, the CM chondrites Murray, Nogoya, and Cold Bokkeveld, the CO chondrites Kainsaz, Omans, and Isna, and the CV chondrites Vigarano, Mokoia, and Grosnaja were tested. We have developed a thermal analysis ICP-MS technique and applied it to the study of a suite of thermally labile elements (Zn, As, Se, Cd, In, Sn, Sb, Te, Hg, Au, Tl, Pb, and Bi) in geologic materials as well.

Lauretta, D. S.↗
DOE OSTI2022

β-Delayed One and Two Neutron Emission Probabilities Southeast of 132 Sn and the Odd-Even Systematics in r-Process Nuclide Abundances

Here, the β-delayed one- and two-neutron emission probabilities (P 1n and P 2n ) of 20 neutron-rich nuclei with N≥82 have been measured at the RIBF facility of the RIKEN Nishina Center. P 1n of 130,131 Ag, 133,134 Cd, 135,136 In, and 138,139 Sn were determined for the first time, and stringent upper limits were placed on P2n for nearly all cases. β-delayed two-neutron emission (β2n) was unambiguously identified in 133 Cd and 135,136 In, and their P 2n were measured. Weak β2n was also detected from 137,138 Sn. Our results highlight the effect of the N=82 and Z=50 shell closures on β-delayed neutron emission probability and provide stringent benchmarks for newly developed macroscopic-microscopic and self-consistent global models with the inclusion of a statistical treatment of neutron and γ emission. The impact of our measurements on r-process nucleosynthesis was studied in a neutron star merger scenario. Our P 1n and P 2n have a direct impact on the odd-even staggering of the final abundance, improving the agreement between calculated and observed Solar System abundances. The odd isotope fraction of Ba in r-process-enhanced (r-II) stars is also better reproduced using our new data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Elucidating structure and dynamics of crystalline α-zirconium phosphates intercalated with water and methanol by multinuclear solid-state MAS NMR: A comprehensive NMR approach

Solid-state NMR experiments on 2 H, 31 P, 13 C, and 1 H nuclei, including 31 P T 1 , 1 H T 1 , and 1 H T 1ρ measurements, as well as on the kinetics of proton-phosphorus cross-polarization have been performed to characterize the crystalline and amorphous α-zirconium phosphates, which were intercalated with D 2 O and/or CD 3 OD. The 13 C{ 1 H} CP MAS NMR experiment performed for compound 1-CD 3 OD (Zr (HPO 4 ) 2 .0.2CD 3 OD) with carbon cross-polarization via protons of phosphate groups has provided a prove that the methanol was intercalated into the interlayer spaces of this compound. The variable-temperature 2 H solid-echo MAS NMR spectra of intercalated compounds demonstrated that the methanol molecules, in contrast to the mobile water, were immobile, keeping, however, free CD 3 rotations around the C 3 -axis. It has been demonstrated that the intercalated species, D 2 O and CD 3 OD, do not affect the high-frequency motions of the phosphate groups. By utilizing local structural models that satisfy the constraints of the experimental data, it has been suggested that the immobile methanol molecules are located in the cavity between two neighboring layers of the zirconium phosphates. Here, the present work illustrates the reliable criteria in a comprehensive NMR approach to structural and dynamic studies of such systems.

1H↗
DOE OSTI2025

Directed Gas-Phase Formation of the 1-Cyanovinyl Radical (H 2 CCCN, X 2 A′) in the Interstellar Medium

The formation pathways to nitrogen-containing molecules and radicals are crucial to the understanding of the carbon–nitrogen chemistry in interstellar and atmospheric environments. While over 65 nitrogen-containing neutral species have been observed in deep space to date, their formation mechanisms─in particular, those of radical species─remain largely speculative. The crossed molecular beam technique in conjunction with electronic structure and statistical calculations was utilized to offer a detailed overview of the fundamental pathways in the gas-phase bimolecular reaction of ground-state atomic carbon (C, 3 P) with acetonitrile-d 3 (CD 3 CN, X 1 A 1 ) under single-collision conditions leading to the formation of the 1-cyanovinyl radical (D 2 CCCN, X 2 A′) coupled with deuterium atom loss. Here, the indirect reaction was initiated by barrierless carbon-atom addition, with the most probable route involving carbon addition across the carbon–nitrogen nitrile triple bond of acetonitrile, forming a three-membered ring intermediate followed by ring-opening and unimolecular decomposition via atomic deuterium loss from the C3 carbon atom. The reaction was overall exoergic, and intermediates and transition states lie lower in energy than the separated reactants, unlocking the reaction of carbon with acetonitrile in low-temperature environments such as cold molecular clouds, e.g., Taurus Molecular Cloud (TMC-1), and planetary atmospheres, e.g., Saturn’s moon Titan. In these environments, the 1-cyanovinyl radical may act as a building block for cyano-substituted polycyclic aromatic hydrocarbons and N-heterocycles, thus furthering our understanding of the complex carbon–nitrogen chemistry in deep space.

Chemical reactions↗