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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS2005

Differential Cross Sections for the Electron Impact Excitation of the A(sup 3)(Sigma)(sub u)(sup +), B(sup 3)Pi(sub g), W(sup 3)(Delta)(sub u), B'(sup 3)(Sigma)(sub u)(sup -), a'(sup 1)Sigma(sub u)(sup -), a(sup 1)Pi(sub g), w(sup 1)Delta(sub u), and C(sup 3)Pi(sub u) States of N(sub 2)

Measurements of differential cross sections for the electron-impact excitation of molecular nitrogen from the ground X(sup 1)(Sigma)(sub g)(sup +)(v''=0)level to the A(sup 3)(Sigma)(sub u)(sup +)(v'), B(sup 3)Pi(sub g)(v'), W(sup 3)(Delta)(sub u)(v'),B'(sup 3)(Sigma)(sub u)(sup -)(v'), a(sup 1)(Pi)(sub g)(v'), w(sup 1)(Delta)(sub u)(v'), and C(sup 3)(Pi)(sub u)(v') levels are presented. The data are obtained at the incident energies of 10, 12.5, 15, 17.5, 20, 30, 50, and 100 eV over the angular range of 5(deg)-130(deg) in 5(deg) intervals. The individual electronic state excitation differential cross sections are obtained by unfolding electron energy-loss spectra of molecular nitrogen using available semiempirical Frank-Condon factors. The data are compared to previous measurements and to available theory. We also make several important suggestions regarding future work that, like the present, relies on the unfolding of electron energy-loss spectra for obtaining differential cross sections.

electron impact↗
NASA NTRS1995

Theoretical Study of the B(sup 3) Sigma(sup -, sub u) - X(sup3)Sigma(sub g, sup -) and B"(sup 3)Pi(sub u) - X(sup 3)Sigma(sub g, sup -) Band Systems of S(sub 2)

Multireference configuration-interaction (MRCI) wavefunctions and potential energy curves have been calculated for the X(sup 3)Sigma(sub g,sup -), B(sup 3)Sigma(sub u, Sup -) and B"(sup 3)Pi((sub u) states of S(sub 2) using correlation consistent Gaussian basis sets. These wavefunctions are utilized to compute the the transition dipole moments of the B(sup 3)Sigma(sub g, sup -) - X(sup 3) Sigma(sub g, sup -) and B"(sup 3)Pi(sub u) - X(sup 3)Sigma(sub g, sup -) systems. Oscillator strengths, transition probabilities, and radiative lifetimes are computed for the X-B system and comparison is made with experimental data.

Pradhan, Atul D.↗
NASA NTRS1994

Electron Excitation Cross Sections for the 2s(sup 2)2p(sup 3) (sup 4)S -> 2s(sup 2)2p(sup 3) (sup 2d) ->2s2p(sup 4) (sup 4p) (Resonance) Transitions in Oil

Experimental and theoretical excitation cross sections are reported for the first forbidden transition xxx and the first allowed (resonance) transition xxx in OII. Use is made of electron-energy loss and merged beams methods. The electron energy range covered is 3.33 eV (threshold) to 15 eV for the S->D transition, and 14.9 eV (threshold) to 40 eV for the S->P transition. Care was taken to assess and minimize the metastable fraction of the OII beam. An electron mirror was designed and tested to reflect inelastically back-scattered electrons into the forward direction to account for the full range of polar scattering angles. Comparisons are made between present experiments and 11-state R-Matrix calculations. Calculations are also presented for the xxx transition.

electron excitation↗
NASA NTRS1981

Theoretical Treatment of the X(sup 1)Sigma(sup +), A(sup 1)Sigma(sup +), and B(sup 1)Pi states of LiH

Ab initio self-consistent-field plus configuration-interaction calculations are reported for the X(sup 1)Sigma(sup +), A(sup 1)Sigma(sup +), and B(sup 1)Pi states of LiH using a 22(sugma)12(pi)7(delta) function Slater basis set. The resulting dissociation energies, with the experimental values in parentheses, are D(sub e)(X(sup 1)Sigma(sup +)) = 19 972 (20288)/ cm, and D(sub e)(A(sup 1)Sigma(sup +)) = 9042 (8682)/ cm, and D(sup e)(B(sup 1)Pi) = 284 (288) /cm. This is the first ab initio treatment to quantitatively account for the binding in the B(sup 1)Pi state. Calculated dipole moments and electronic transition moments for the X(sup 1)Sigma(sup+)-A(sup 1)Sigma(sup +), X(sup 1)Sigma(sup +)-B((sup 1)Pi, and A(sup 1)Sigma(sup +)- B(sup 1)PI band systems are in excellent agreement with existing theoretical and experimental data. Radiative transition probabilities and lifetimes, including both the bound-bound and bound-free contributions, are computed for all vibrational levels of the A(sup 1)Sigma(sup+) and B(sup 1)Pi states. Comparison with previous results using experimentally based potentials provides insight into the sensitivity of the radiative lifetimes to the detailed nature of the uppermost region of the potentials. Our calculated lifetimes for the lower vibrational levels of the A(sup 1)Sigma(sup +) state are within the experimental uncertainty. Our calculated lifetimes for the three vibrational levels of the B(sup 1)Pi state are in excellent agreement with those of Zemke and Stwalley (values in parentheses), increasing with (upsilon)' from 11.3 (11.3) nsec at (upsilon)' = 0, to 17.0 (17.0) nsec at (upsilon)' = 1, and then to 23.5 (24.0) nsec at (upsilon)' = 2.

Partridge, Harry↗
NASA NTRS1995

The Theoretical Transition Probabilities Between the B(sup 3)Pi(sub g) and the A(sup 3)Sigma(Sup +, sub u), W(sup 3)Delta(sub u), B'(sup 3)Sigma(sup -, sub u) States of N2

The electronic transition moment functions between the B(sup 3)Pi(sub g) and the A(sup 3)Sigma(sup +, sub u), W(sup 3)Delta(sub u), B'(sup 3)Sigma(sup -, sub u) states of N2 are studied using the internally contracted multireference configuration interaction (ICMRCI) method based upon complete active space SCF (CASSCF) reference wave-functions. The dependence of the moments on both the one and n-particle basis sets has been investigated in detail. The calculated radiative lifetimes for the vibrational levels of B(sup 3)Pi(sub g) are in excellent agreement with the most recent measurement of Euler and Pipkin (1983)

Thuemmel, Helmar T.↗
NASA NTRS1995

Observation of CH A (sup 2)Delta approaches X (sup 2)Pi(sub r) and B (sup 2)Sigma(sup -) approaches X (sup 2)Pi(sub r) emissions in gas-phase collisions of fast O((sup 3)P) atoms with acetylene

Optical emissions in single-collision, beam-beam reactions of fast (3-22 eV translational energy) O(P-3) atoms with C2H2 have been measured in the wavelength range 300-850 nm. Two features were observed, one with a peak wavelength at 431 nm, corresponding to the CH A (sup 2)Delta yields X (sup 2)Pi(sub r) transition, and a second weaker emission in the range 380-400 nm corresponding to the B (sup 2)Sigma(sup -) yields X (sup 2)Pi(sub r) transition. Both the A yields X and B yields X emissions were fit to a synthetic spectrum of CH(A) at a vibrational temperature T(sub v) of 10,000 K (0.86 eV) and a rotational temperature T(r) of approximately 5000 K (0.43 eV); and CH(B) to T(sub v) = 2500 K (0.22 eV) and T(sub r) = 1000 K (0.09 eV). The energy threshold for the A yields X emission was measured to be 7.3 +/- 0.4 eV (lab) or 4.5 +/- 0.2 eV (c.m.). This agrees with the energy threshold of 7.36 eV (lab) for the reaction O(P-3) + C2H2 yields CH(A) + HCO.

Orient, O. J.↗
NASA NTRS1987

The binary weight distribution of the extended (2 sup m, 2 sup m-4) code of Reed-Solomon code over GF(2 sup m) with generator polynomial (x-alpha sup 2) (x-alpha sup 3)

Consider an (n,k) linear code with symbols from GF(2 sup m). If each code symbol is represented by a binary m-tuple using a certain basis for GF(2 sup m), a binary (nm,km) linear code called a binary image of the original code is obtained. A lower bound is presented on the minimum weight enumerator for a binary image of the extended (2 sup m, 2 sup m -4) code of Reed-Solomon code over GF(2 sup m) with generator polynomical (x - alpha)(x- alpha squared)(x - alpha cubed) and its dual code, where alpha is a primitive element in GF(2 sup m).

Lin, Shu↗
NASA NTRS1995

A Study of the X(sup 2) Sigma(sup +) and A(sup 2) Pi States of MgAr(sup +) and MgKr(sup +)

The ground (sup 2)Sigma(sup +) and lowest excited (sup 2)Pi states of MgAr(sup +) and MgKr(sup +) are studied using the singles and doubles configuration interaction (SDCI) approach, in conjunction with large basis sets. The effect of Mg core correlation and core polarization are accounted for using the core-polarization potential (CPP) approach. Franck-Condon factors, oscillator strengths, radiative lifetimes, dissociation energies, bond lengths, and excitation energies are reported. The computed results are in good agreement with the available experimental data.

Bauschlicher, Charles W., Jr.↗
NASA NTRS1995

Electron Excitation Cross Sections for the C // Transitions 2s(sup 2)wp (sup 2)Pdegree -- 2s2p(sup 2) (sup 4)P, (sup 2)D and (sup 2)S

Experimental and theoretical excitation cross sections are reported for the transitions 2s22p 2Po 2s2p2 4P, 2D and 2S in C //. The transition wavelengths (energies) are l 2324 A (5.34 eV), l 1335 A (9.29 eV), and l 1036 A (11.96 eV), respectively. Use is made of electron energy-loss and merged- beams methods. The energy range covered is from below each threshold (4-11 eV) to 22-25 eV. As in previous work with O //, care was taken to assess and minimize the metastable fraction in the C //beam, to account for contributions from nearby energy-loss features, and to collect the full angular range of inelastically-scattered electrons. Comparison is made for each transition between experiment and a new 8-state R-matrix calculations.

Electron Excitation↗
NASA NTRS1995

The Study of the Successive Metal-Ligand Binding Energies for Fe(sup +), Fe(sup -), V(sup +) and Co(sup +)

The successive binding energies of CO and H2O to Fe(sup +), CO to Fe(sup -), and H2 to Co(sup +) and V(sup +) are presented. Overall the computed results are in good agreement with experiment. The trends in binding energies are analyzed in terms of metal to ligand donation, ligand to metal donation, ligand-ligand repulsion, and changes in the metal atom, such as hybridization, promotion, and spin multiplicity. The geometry and vibrational frequencies are also shown to be directly affected by these effects.

Bauschlicher, Charles W., Jr.↗