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At least 127 records · Page 7

Variational calculation of ground-state energy of iron atoms and condensed matter in strong magnetic fields

Variational calculations of the binding energies of iron atoms and condensed matter in strong magnetic fields (greater than 10 to the 12th gauss). These calculations include the electron exchange energy. The cohesive energy of the condensed matter, which is the difference between these two binding energies, is of interest in pulsar theories and in the description of the surfaces of neutron stars. It is found that the cohesive energy ranges from 2.6 keV to 8.0 keV.

Flowers, E. G.↗

Optical, spin-resonance, and magnetoresistance studies of /tetrathiatetracene/2/iodide/3 - The nature of the ground state

A recent investigation in which Isett and Perez-Albuerne (1977) found that (tetrathiatetracene)2(iodine)3 is a stable organic metal down to 3.3 K is of considerable interest. In view of the diversity of suggestions made regarding this compound, measurements, were made of its electrical, magnetic, and optical properties. The results obtained indicate a metallic state at high temperatures, but also support a nonmetallic state at temperatures below 30 K. At 20-30 K, a metal-to-insulator phase transition occurs. This is indicated by the onset of a large and positive magnetoresistance, the leveling off in the temperature dependence of the ESR linewidth, and by recent derivative analysis of the electrical conductivity in this region. The investigated compound represents an interesting one-dimensional electronic system in which it may be possible to study the combined effects of disorder and interchain coupling on charge transport processes.

Somoano, R. B.↗

Ordered ground states of metallic hydrogen and deuterium

The physical attributes of some of the more physically distinct ordered states of metallic hydrogen and metallic deuterium at T = 0 and nearby are discussed. The likelihood of superconductivity in both is considered with respect to the usual coupling via the density fluctuations of the ions.

Ashcroft, N. W.↗

First detection of the ground state JK = 1 sub 0 going to 0 sub 0 submillimeter transition of interstellar ammonia

The JK = 1 sub 0 approaching O sub 0 transition of ammonia at 572.5 GHz was detected in OMC-1 from NASA's Kuiper Airborne Observatory. The central velocity of the line (VLSR approximately = 9 km/s) indicates that it originates in the molecular cloud material, not the hot core. The derived filling factor of approximately 0.09 in a 2' beam implies a source diameter of approximately 35" if it is a single clump. This clump area is much larger than that derived from observations of the sub 1 inversion transition. The larger optical depth in the 1 sub 0 approaching 0 sub 0 transition (75-350) can account for the increased source area and linewidth as compared with those seen in the 1 sub 0 inversion transition.

Keene, J.↗

First detection of the ground-state J(K) = 1(0)-0(0) submillimeter transition of interstellar ammonia

The JK = 1 sub 0 approaching 0 sub 0 transition of ammonia at 572.5 GHz was detected in OMC-1 from NASA's Kuiper Airborne Observatory. The central velocity of the line (VLSR approximately = 9 km/s) indicates that it originates in the molecular cloud material, not the hot core. The derived filling factor of approximately 0.09 in a 2' beam implies a source diameter of approximately 35' if it is a single clump. This clump area is much larger than that derived from observations of the sub 1 inversion transition. The larger optical depth in the 1 sub 0 approaching 0 sub 0 transition (75-350) can account for the increased source area and linewidth as compared with those seen in the 1 sub 0 inversion transition. Previously announced in STAR as N83-25630

Keene, J.↗

The far-infrared laser magnetic resonance spectrum of the SiH radical and determination of ground state parameters

The far-infrared laser magnetic resonance spectrum of the SiH radical in the v = O level of its X2Pi state has been recorded. The signals are rather weak. The molecules were generated in the reaction between fluorine atoms and SiH4. Rotational transitions have been detected in both 2Pi1/2 and 2Pi3/2 spin components but no fine structure transitions between the spin components were observed. Proton hyperfine splittings were resolved on some lines. The measurements have been analyzed, subjected to a least-squares fit using an effective Hamiltonian, and the appropriate molecular parameters determined. The weakness of the spectrum and the failure of attempts to power saturate favorable lines are both consistent with a small value for the electric dipole moment for SiH.

Brown, J. M.↗

Theoretical determination of the ground state of N2(2+)

The low-lying 1Sigma(g)(+), 3Pi(u), and 3Sigma(g)(-) states of N2(2+) in the immediate region of the minima in their respective potential curves are investigated. Spectroscopic constants for the 1Sigma(u)(+) state are computed for comparison with experiment. Approaches to computing the entire potential curves of many states N2(2+) are calibrated.

Taylor, Peter R.↗

Theoretical characterization of selected regions of the ground state potential surface of N2H2

The results of CASSCF/multireference contracted CI calculations with large atomic natural orbital basis sets are presented for selected regions of the N2H2 potential surface. The calculations focused on the addition of an H atom to HN2. This process involves four channels. Approach of the H atom along the HN bond leads to N2 + H2 with no barrier (H abstraction), while approach of the H atom to the other three positions leads to trans-HNNH, cis-HNNH, and NNH2, which are stable minima. These calculations provide the most accurate energetics for these three stable species obtained to date. Combining the results of these calculations with previous results for HN2 provides accurate thermochemical data on these important molecules.

Walch, Stephen P.↗

Surface modification using low energy ground state ion beams

A method of effecting modifications at the surfaces of materials using low energy ion beams of known quantum state, purity, flux, and energy is presented. The ion beam is obtained by bombarding ion-generating molecules with electrons which are also at low energy. The electrons used to bombard the ion generating molecules are separated from the ions thus obtained and the ion beam is directed at the material surface to be modified. Depending on the type of ion generating molecules used, different ions can be obtained for different types of surface modifications such as oxidation and diamond film formation. One area of application is in the manufacture of semiconductor devices from semiconductor wafers.

Chutjian, Ara↗

Extension of a new semiempirical method (BFS) and the study of ground state properties of binary alloys

We extend the method of Bozzolo, Ferrante and Smith (BFS) for the study of alloy energetics to include a description of the local environment in specific ordered structures. The concept of bond-diagrams is introduced and applied to fcc binary compounds. A simple example of the parameterization of the bond-diagrams is done with reference to available first-principles calculations of Ni-Pt ordered alloys.

Bozzolo, Guillermo↗

A facility to produce an energetic, ground state atomic oxygen beam for the simulation of the Low-Earth Orbit environment

Because of the continuing commitment to activity in low-Earth orbit (LEO), a facility is under development to produce energetic atmospheric species, particularly atomic oxygen, with energies ranging from 5 to 80 eV. This relatively high flux facility incorporates an ion engine to produce the corresponding specie ion which is charge exchanged to produce a neutral atomic beam. Ion fluxes of around 10(exp 15) sec(exp -1) with energies of 20-70 eV have been achieved. A geometrically augmented inertially tethered charge exchanger (GAITCE) was designed to provide a large column depth of charge exchange gas while reducing the gas load to the low pressure portion of the atomic beam facility. This is accomplished using opposed containment jets which act as collisional barriers to the escape of the dense gas region formed between the jets. Leak rate gains to the pumping system on the order of 10 were achieved for moderate jet mass flows. This system provides an attractive means for the charge exchange of atomic ions with a variety of gases to produce energetic atomic beams.

Ketsdever, Andrew D.↗

Charge Transfer Between Ground-State Si(3+) and He at Electron-Volt Energies

The charge-transfer rate coefficient for the reaction Si(3+)(3s(sup 2)S) + He yields products is measured by means of a combined technique of laser ablation and ion storage. A cylindrical radio-frequency ion trap was used to store Si(3+) ions produced by laser ablation of solid silicon targets. The rate coefficient of the reaction was derived from the decay rate of the ion signal. The measured rate coefficient is 6.27(exp +0.68)(sub -0.52) x 10(exp -10)cu cm/s at T(sub equiv) = 3.9 x 10(exp 3)K. This value is about 30% higher than the Landau-Zener calculation of Butler and Dalgarno and is larger by about a factor of 3 than the recent full quantal calculation of Honvault et al.

Fang, Z.↗

Measurement of Charge Transfer Rate Coefficient Between Ground-State N(2+) Ion and He at Electron-Volt Energies

The charge transfer rate coefficient for the reaction N(2+)(2p(sup 2)P(sup 0)) + He yields products is measured by recording the time dependence of the N(2+) ions stored in an ion trap. A cylindrical radio-frequency ion trap was used to store N(2+) ions produced by laser ablation of a solid titanium nitride target. The decay of the ion signals was analyzed by single exponential least-squares fits to the data. The measured rate coefficient is 8.67(0.76) x 10(exp -11)sq cm/s. The N(2+) ions were at a mean energy of 2.7 eV while He gas was at room temperature, corresponding to an equivalent temperature of 3.9 x 10(exp 3) K. The measured value is in good agreement with a recent calculation.

Fang, Z.↗

Charge Transfer Between Ground-State N(2+) and H2, N2, and CO at Electron-Volt Energies

The charge-transfer rate coefficients for reactions of N(2+)(2 S(sup 2)2p(sup 2)P(sup 0)) with H2, N2, and CO are measured using ion storage. A cylindrical rf ion trap was used to store N(2+) ions produced by laser ablation of a solid titanium nitride target. The rate coefficients were derived from the decay rate of the ion signal. The rate coefficients for the above three reactions are 3.38(0.35) x 10(exp -11)sq sm/s at T(sub equiv.)=2.9 x 10(exp 3) K, 2.10(0.18) x 10(exp -9)sq sm/s at T(sub equiv.) = 1.3 x 10(exp 4) K, and 3.37(0.29) x 10(exp -9)sq cm/s at T(sub equiv.) = 1.3 x 10(exp 4) K, respectively. No theoretical or other experimental values are available at this energy range.

Fang, Z.↗