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Results for “Proton 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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Structure of proton centers and associated nonthermal bursts at microwave frequencies

A very broad band of electromagnetic radiation is emitted during solar flares, especially at the explosive phase. The existence of a large variety of plasmas with various densities and a wide range of temperatures or energies is proposed as the initiating agent. The manner in which the plasmas are heated and accelerated to subrelativistic and relativistic energies is discussed. Observational evidence on the characteristics of active regions which produced proton flares and on the structure of the associated nonthermal microwave bursts of the sun is presented. The behavior of subrelativistic electrons on the sun is described.

Enome, S.↗
NASA NTRS1976

Theoretical investigation of protonated carbon dioxide

The equilibrium structure of CO2H(+) has been obtained from self-consistent field and configuration interaction wave functions. Only one stable form has been found, a linear O-C-O chain with the hydrogen bonded to oxygen and slightly off axis, in analogy with known isoelectronic species. A second structure protonated at carbon, which has been inferred from mass spectrometric studies, is found to be unstable with respect to spontaneous rearrangement. The proton affinity of CO2 is calculated to be 136 kcal/mole, in reasonable agreement with the most recent experimental value.

Green, S.↗
NASA NTRS1996

Optimized Structures and Proton Affinities of Fluorinated Dimethyl Ethers: An Ab Initio Study

Ab initio methods have been used to investigate the proton affinity and the geometry changes upon protonation for the molecules (CH3)2O, (CH2F)2O, (CHF2)2O, and (CF3)2O. Geometry optimizations were performed at the MP2/3-2 I G level, and the resulting geometries were used for single-point energy MP2/6-31G calculations. The proton affinity calculated for (CH3)2O was 7 Kjoule/mole from the experimental value, within the desired variance of +/- 8Kjoule/mole for G2 theory, suggesting that the methodology used in this study is adequate for energy difference considerations. For (CF3)20, the calculated proton affinity of 602 Kjoule/mole suggests that perfluorinated ether molecules do not act as Lewis bases under normal circumstances; e.g. degradation of commercial lubricants in tribological applications.

Orgel, Victoria B.↗
NASA NTRS1976

The internal plasma state of the high speed solar wind at 1 AU

The character of particle velocity distributions in the high speed solar wind is described. It is found that electron distribution shapes differ from simple bi-Maxwellians in that a hot strongly beamed high energy electron component is always present, and is observed to move relative to a distinct low energy electron component along the magnetic field direction away from the sun. The velocity difference between hot and cold electron components appears, at times, to be strongly correlated with the local Alfven speed. Proton velocity distributions are also best represented by two relatively convecting unresolved components. Evidence is presented which supports the idea that the two-component proton structure observed in high speed regions is intimately related to fine scale velocity variations at 1 AU, and probably to prominent spatial and/or temporal structures present throughout that part of the corona from which the solar wind evolves.

Feldman, W. C.↗
NASA NTRS1978

/U,B,K/ coordinates - A natural system for studying magnetospheric convection

The formulation of the magnetospheric convection problem involves a coordinate system consisting of the electric potential, the magnetic field intensity, and the modified longitudinal invariant. The mapping is extended to include all particles and not just those mirroring in the magnetic equator. Equations of motion for the particle mirror points in this representation are presented. The analysis results in a natural division of the magnetosphere into accelerator and dynamo regions and use of the coordinate system permits trajectory-dependent effects to be distinguished from source- or sink-dependent effects. The representation is illustrated by application to the analysis of the nose structure protons observed by Smith and Hoffman (1974).

Whipple, E. C., Jr.↗
NASA NTRS1995

Proton affinity determinations and proton-bound dimer structure indications in C2 to C15, (alpha),(omega)-alkyldiamines

The 'kinetic method' was used to determine the proton affinity (PA) of a,coalkyldiamines from collision induced dissociation (CID) studies of protonated heterodimers. These PA values were consistently lower than those reported in the proton affinity scale. The apparent discrepancy was rationalized in terms of differences in the conformation of the protonated diamine monomers. The minimum energy species, formed by equilibrium proton transfer processes, have a cyclic conformation and the ion charge is shared by both amino-groups which are bridged by the proton. On the other hand, the species formed through dissociation of protonated dimers have a linear structure and the charge is localized on one of the amino-groups. Thus, the difference in the PA values obtained by both methods is a measure of the additional stability acquired by the protonated diamines through cyclization and charge delocalization. The major collision dissociation pathway of the protonated diamine monomers involved elimination of an ammonia moiety. Other reactions observed included loss of the second amino-group and several other bond cleavages. CID of the protonated dimers involved primarily formation of a protonated monomer through cleavage of the weaker hydrogen bond and subsequently loss of ammonia at higher collision energies. As observed from the CID studies, doubly charged ions were also formed from the diamines under conditions of the electrospray ionization.

Karpas, Z.↗
NASA NTRS2003

Structure-Derived Proton-Transfer Mechanism of Action Human Pyruvate Dehydrogenase

The derivative of vitamin B1 thiamin pyrophosphate (TPP) is a cofactor of pyruvate dehydrogenase (E1p) that is involved in decarboxylation of pyruvate followed by reductive acetylation of lipoic acid covalently bound to a lysine residue of dihydrolipoamide acetyltransferase. The structure of E1p recently determined in our laboratory revealed patterns of association of foul subunits and specifics of two TPP binding sites. The mechanism of action in part includes a conserved hydrogen bond between the N1' atom of the aminopyrimidine ring of the cofactor and the carboxylate group of Glu59 from the beta subunits, and a V-conformation of the cofactor that brings the N4' atom of the aminopyrimidine ring to the distance of the intramolecular hydrogen bond formed with the C2-atom of the thiazolium moiety. The carboxylate group of Glu59 is the local proton acceptor that enables proton translocation within the aminopyrimidine ring and stabilization of the rare N4' - iminopyrimidine tautomer. Based on the analysis of E1p structure, we postulate that the protein environment drives N4' - amino/N4' - imino dynamics resulting in a concerted shuttle-like movement of the subunits. We also propose that this movement of the subunits is strictly coordinated with the two enzymatic reactions carried out in E1p by each of the two cofactor sites. It is proposed that these reactions are in alternating phases such that when one active site is involved in decarboxylation, the other is involved in acetylation of lipoyl noiety.

Ciszak, Ewa↗
NASA NTRS1974

Temperature and density structure of thermal proton flows

Thermal proton flows along magnetic field lines are an important feature of magnetosphere-ionosphere coupling. In this paper we report the results of a theoretical study of the thermal structure of such flows. The adopted steady state model is based upon O+, H+, and electrons with self-consistent solutions for the separate O+, H+, and electron temperatures, the O+ and H+ densities and the H+ drift velocity. Through investigation of a number of parameters affecting the model, it is shown that Joule heating arising from the flow of H+ through O+ preferentially heats H+, so that the H+ temperature is substantially greater than the O+ temperature. Low O+ densities characteristic of the trough region appear to give high H+/O+ temperature ratios. Typical O+ densities characteristic of polar wind flow regions give moderate H+/O3 temperature ratios. The Mach number of H+ outflow is substantially reduced in the present models in comparison with the older fixed temperature calculations.

Banks, P. M.↗
NASA NTRS1977

Approximations for proton excitation of coronal ion fine structure

Explicit approximations that yield proton excitation cross sections and rate coefficients for fine-structure transitions in a wide variety of ions over the low and intermediate energy ranges are obtained in terms of the electric quadrupole transition probability and quadrupole radial integral of a given ion. The range of applicability of these approximations is discussed, and comparisons are made with available cross sections and rate coefficients. Values of quadrupole radial integrals are given for ground configurations of even-Z elements in higher stages of ionization. Proton excitation rate coefficients are computed for coronal transitions involving fine-structure levels in the ions Fe XIII, Fe XV, Fe XVIII, Fe XXI, and Ca XIII.

Kastner, S. O.↗
NASA NTRS1982

Proton NMR studies of the electronic structure of ZrH/sub x/

The proton spin lattice relaxation times and Knight shifts were measured in f.c.c. (delta-phase) and f.c.t. (epsilon-phase) ZrH/sub x/ for 1.5 or = to x or = to 2.0. Both parameters indicate that N(E/sub F/) is very dependent upon hydrogen content with a maximum occurring at ZrH1 83. This behavior is ascribed to modifications in N(E/sub F/) through a fcc/fct distortion in ZrH/sub x/ associated with a Jahn-Teller effect.

Attalla, A.↗
NASA NTRS2011

Enhanced Spectral Anisotropies Near the Proton-Cyclotron Scale: Possible Two-Component Structure in Hall-FLR MHD Turbulence Simulations

Recent analysis of the magnetic correlation function of solar wind fluctuations at 1 AU suggests the existence of two-component structure near the proton-cyclotron scale. Here we use two-and-one-half dimensional and three-dimensional compressible MHD models to look for two-component structure adjacent the proton-cyclotron scale. Our MHD system incorporates both Hall and Finite Larmor Radius (FLR) terms. We find that strong spectral anisotropies appear adjacent the proton-cyclotron scales depending on selections of initial condition and plasma beta. These anisotropies are enhancements on top of related anisotropies that appear in standard MHD turbulence in the presence of a mean magnetic field and are suggestive of one turbulence component along the inertial scales and another component adjacent the dissipative scales. We compute the relative strengths of linear and nonlinear accelerations on the velocity and magnetic fields to gauge the relative influence of terms that drive the system with wave-like (linear) versus turbulent (nonlinear) dynamics.

Ghosh, Sanjoy↗
NASA NTRS1992

Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms

The equilibrium structures, harmonic vibrational frequencies, IR intensities, and relative energetics of HNO3 and its protonated form H2NO3+ were investigated using double-zeta plus polarization and triple-zeta plus polarization basis sets in conjunction with high-level ab initio methods. The latter include second-order Moller-Plesset perturbation theory, the single and double excitation coupled cluster (CCSD) methods, a perturbational estimate of the effects of connected triple excitations (CCSD(T)), and the self-consistent field. To determine accurate energy differences CCSD(T) energies were computed using large atomic natural orbital basis sets. Four different isomers of H2NO3+ were considered. The lowest energy form of protonated nitric acid was found to correspond to a complex between H2O and NO2+, which is consistent with earlier theoretical and experimental studies.

Lee, Timothy J.↗
NASA NTRS1974

Relation of coronal magnetic structure to the interplanetary proton events of August 2-9, 1972

In order to interpret the time history of protons of energy greater than about 13.5 MeV observed on Pioneers 9 and 10 and IMP 5 from the flares of Aug. 2, 4 and 7, the coronal connection longitudes of the interplanetary field lines were estimated using the solar wind velocities measured on the spacecraft. There is reasonable agreement between the observed magnetic field polarity at Pioneer 9 and the equatorial chromospheric polarity at the inferred connection longitudes. The protons appear to be released preferentially in a large magnetic neutral-line complex that surrounds the flare region (McMath 11976) from Carrington longitudes 0 to 60. Although impulsive proton events were observed from all three flares by Pioneer 9, only the second two were seen at earth, and Pioneer 10 never showed comparable impulsive response. These apparent discrepancies are resolved by comparison with magnetic neutral line structure.

Roelof, E. C.↗
NASA NTRS2002

The Effects of Proton Radiation on the Structure of Diamond Films

Diamond possesses many of the sought after material properties desired in present day applications and is also quite radiation resistant. These characteristics make it an ideal candidate for insertion into MicroElectroMechanical Systems (MEMS) technologies, particularly for space-based applications. Most prior radiation studies investigated single crystal, bulk diamond specimens, not polycrystalline thin films. This investigation examined the microstructural effects of irradiating polycrystalline diamond films with various proton dosages (10(exp 15) - 10(exp 17) H+/sq cm). Scanning Electron Microscopy, micro-Raman Spectroscopy, and micro-X-ray Diffraction techniques were used to examine the effects as a function of depth. Strain values were calculated. Results indicate that the diamond lattice is retained, even at maximum irradiation levels. Polycrystalline silicon was also examined for comparative purposes.

Newton, Robert Lee↗
NASA NTRS1972

Test report: Shock test of the electron/proton spectrometer structural test unit

A shock test of the electron-proton spectrometer structural test unit was conducted. The purpose of the shock test was to verify the structural integrity of the electron-spectrometer design and to obtain data on the shock response of the electronics and electronic housing. The test equipment is described and typical shock response data are provided.

Vincent, D. L.↗