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Results for “Atomic structure”

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
DOE OSTI2026

Electron storage ring power supply system design report

In January 2020, U.S. Secretary of Energy Dan Brouillette announced the decision to build an Electron Ion Collider (EIC) at Brookhaven National Laboratory (BNL). While advancing the state of the art of particle colliders, the EIC will enable the U.S. nuclear physics community, with world wide participation, to take a giant step forward in the centuries-old quest to understand the nature of matter at its most fundamental level, providing the clearest picture yet of how the elemental quarks and gluons interact to form the basic structure of atoms and nuclei. The EIC at Brookhaven National Laboratory will be the first particle accelerator capable of colliding polarized ions with polarized electrons.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Heterostructural Rocksalt-Wurtzite Interfaces

Data and code accompanying the following publication: Sharad Mahatara and Stephan Lany, "Heterostructural interface engineering for ultrawide gap nitrides from first principles: TaC/AlN and TaC/GaN rocksalt-wurtzite interfaces," Physical Review Applied 22, 054044 (2024). https://doi.org/10.1103/PhysRevApplied.22.054044

36 MATERIALS SCIENCE↗
NASA NTRS1967

Venus - Atmospheric evolution.

Thermodynamic equilibrium composition of Venus atmosphere computed from atomic composition deduced spectroscopically

SPECTROSCOPY↗
NASA NTRS1972

An ESCA study of lunar and terrestrial materials.

The technique of electron spectroscopy for chemical analysis (ESCA) is used to obtain rapid, nondestructive elemental analyses of selected lunar samples, and the chemical shift of the Fe(2p) line in lunar materials is found characteristic of iron in the Fe(2+) state. A difference in binding energy of approximately 0.5 eV is observed between the 0(1s) levels of the terrestrial minerals fayalite and quartz, and effects due to surface oxidation and absorption are also observed in terrestrial materials. The new ESCA technique is based on energy analysis at high resolution of electrons emitted from the surface of a sample on irradiation with X rays and is valuable for the study of the electronic structure of atoms and molecules.

Huntress, W. T., Jr.↗
NASA NTRS1977

On the representation matrices of the spin permutation group

A method is presented for the determination of the representation matrices of the spin permutation group (symmetric group), a detailed knowledge of these matrices being required in the study of the electronic structure of atoms and molecules. The method is characterized by the use of two different coupling schemes. Unlike the Yamanouchi spin algebraic scheme, the method is not recursive. The matrices for the fundamental transpositions can be written down directly in one of the two bases. The method results in a computationally significant reduction in the number of matrix elements that have to be stored when compared with, say, the standard Young tableaux group theoretical approach.

Wilson, S.↗
NASA NTRS1979

A method to estimate critical volumes

Methods for estimating the volume of the critical temperature used for the estimation of thermodynamic properties of substances are described. The possibility to estimate the critical temperature by using a combination of only eighteen atomic and structural contributions is shown. These contributions are listed and the critical temperature is given by a linear expression. By comparing the Vetere (1976) and Lydersen (1955) methods with the method discussed it is noted that while all three methods yield about the same average error (about 3%), the new method is superior in that it requires a smaller number of increments to fit data points.

Fedors, R. F.↗
NASA NTRS1993

Neutral gas in the central 2 parsecs of the Galaxy

New spectroscopic observations are presented that elucidate the spatial distribution, kinematics, and density structure of atomic and molecular gas within about 2 p from IRS 16/SgrA*. The measurements confirm the presence of a dense clumpy molecular gas ring surrounding a short-lived central cavity of much lower mean gas density. It appears that this ring consists of several distinct and probably short-lived gas streamers that result from accretion from the massive molecular clouds within 10-30 pc of the center toward the central gravitational potential. Within 1 pc of SgrA* a large atomic cloud is found that appears to be falling in from more than 3 pc Galactocentric distance into the central cavity. The northern and eastern 'arms' of ionized gas are very likely dense bright rims at the surface of this atomic cloud that is now exposed to the intense UV radiation from the few central arcsec surrounding IRS 16/SgrA*.

Jackson, J. M.↗
NASA NTRS2000

Quiescent Giant Molecular Cloud Cores in the Galactic Center

We have used the Long Wavelength Spectrometer (LWS) aboard the Infrared Space Observatory (ISO) to map the far-infrared continuum emission (45-175 micrometer) toward several massive Giant Molecular Cloud (GMC) cores located near the Galactic center. The observed far-infrared and submillimeter spectral energy distributions imply low temperatures (approx. 15 - 22 K) for the bulk of the dust in all the sources, consistent with external heating by the diffuse ISRF and suggest that these GMCs do not harbor high- mass star-formation sites, in spite of their large molecular mass. Observations of FIR atomic fine structure lines of C(sub II) and O(sub I) indicate an ISRF enhancement of approx. 10(exp 3) in the region. Through continuum radiative transfer modeling we show that this radiation field strength is in agreement with the observed FIR and submillimeter spectral energy distributions, assuming primarily external heating of the dust with only limited internal luminosity (approx. 2 x 10(exp 5) solar luminosity). Spectroscopic observations of millimeter-wave transitions of H2CO, CS, and C-34S carried out with the Caltech Submillimeter Observatory (CSO) and the Institut de Radio Astronomie Millimetrique (IRAM) 30-meter telescope indicate a gas temperature of approx. 80 K, significantly higher than the dust temperatures, and density of approx. 1 x 10(exp 5)/cc in GCM0.25 + 0.01, the brightest submillimeter source in the region. We suggest that shocks caused by cloud collisions in the turbulent interstellar medium in the Galactic center region are responsible for heating the molecular gas. This conclusion is supported by the presence of wide-spread emission from molecules such as SiO, SO, and CH3OH, which are considered good shock tracers. We also suggest that the GMCs studied here are representative of the "typical", pre-starforming cloud population in the Galactic center.

Lis, D. C.↗
NASA NTRS2017

BioWires: Conductive DNA Nanowires in a Computationally-Optimized, Synthetic Biological Platform for Nanoelectronic Fabrication

DNA is an ideal template for a biological nanowire-it has a linear structure several atoms thick; it possesses addressable nucleobase geometry that can be precisely defined; and it is massively scalable into branched networks. Until now, the drawback of DNA as a conducting nanowire been, simply put, its low conductance. To address this deficiency, we extensively characterize a chemical variant of canonical DNA that exploits the affinity of natural cytosine bases for silver ions. We successfully construct chains of single silver ions inside double-stranded DNA, confirm the basic dC-Ag+-dC bond geometry and kinetics, and show length-tunability dependent on mismatch distribution, ion availability and enzyme activity. An analysis of the absorbance spectra of natural DNA and silver-binding, poly-cytosine DNA demonstrates the heightened thermostability of the ion chain and its resistance to aqueous stresses such as precipitation, dialysis and forced reduction. These chemically critical traits lend themselves to an increase in electrical conductivity of over an order of magnitude for 11-base silver-paired duplexes over natural strands when assayed by STM break junction. We further construct and implement a genetic pathway in the E. coli bacterium for the biosynthesis of highly ionizable DNA sequences. Toward future circuits, we construct a model of transcription network architectures to determine the most efficient and robust connectivity for cell-based fabrication, and we perform sequence optimization with a genetic algorithm to identify oligonucleotides robust to changes in the base-pairing energy landscape. We propose that this system will serve as a synthetic biological fabrication platform for more complex DNA nanotechnology and nanoelectronics with applications to deep space and low resource environments.

DNA↗