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81.
A. Alatas A.H. Said H. Sinn C.N. Kodituwakku B. Reinhart M.-L. Saboungi 《Journal of Physics and Chemistry of Solids》2005,66(12):2230-2234
The dynamical structure factors of supercooled-liquid and hot-solid silicon are measured by inelastic X-ray scattering at the same temperature, 1620 K. Two significant changes in the averaged longitudinal sound velocities and in the longitudinal modulus are observed. First, we observe a different longitudinal modulus in the polycrystalline hot-solid silicon compared to the extrapolated value obtained from the single-crystal measurement. This reduction of the modulus may be a precursor of the semiconductor-to-metal transition. Second, the increase in the longitudinal modulus in the liquid upon supercooling is consistent with an increase in the degree of the directional bonding. 相似文献
82.
Steady two‐dimensional natural convection in an inclined parallel‐walled channel was investigated numerically. The full elliptic forms of conservation equations were solved together and the velocity vectors, temperature contours and local and average Nusselt number distribution were obtained. The comparisons of local and average Nusselt number with published experimental and numerical results indicate very good agreement. Results are presented for a single aspect ratio, L/b=24, over the range of Rayleigh number of 3–1000 and angle of inclination 0–90°. The results indicate that the overall channel average Nusselt number is reduced as the inclination angle is increased. Significant reductions in the overall Nusselt number are exhibited at high angle of channel inclination. Copyright © 2005 John Wiley & Sons, Ltd. 相似文献
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84.
Optical measurements on crystals in the series SnSxSe2?x for 0 ? x ? 2, have yielded information on the changes in the ordinary refractive index and the energy gap in the temperature range 125–425 K. The coefficient has values +40 to +160 × 10?6K?1 and this confirms that covalent bonding predominantly exists in these materials. The coefficient remains fairly consistent for all values of x with an average value of -8.0×10-4eV K-1. 相似文献
85.
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87.
Said M. Bayomi Kenneth E. Price J. Walter Sowell 《Journal of heterocyclic chemistry》1985,22(1):83-88
A route for the synthesis of various derivatives of 7-oxopyrrolo[3,2-b]pyridine-6-carboxylic acid from 2-methyl-3-carbomethoxy-4-aminopyrrole is reported. 相似文献
88.
Using a recently proposed non-empirical Heisenberg hamiltonian, the ground and excited covalent surfaces of the styrene molecule are calculated as functions of the external double-bond twisting angle θ, including full bond-length optimisation. The lowest excited singlet surface exhibits a barrier at 0 ?~ 45° resulting from a weakly avoided crossing of two neutral diabatic surfaces. The isomerisation should proceed from the twisted funnel. This model and the calculated transition energies are in good agreement with experiment. 相似文献
89.
We investigate the processes of cluster formation and growth of ZnS from aqueous solution using molecular dynamics simulation techniques. The influence of both temperature and concentration is studied. We show that, at lower temperatures, the crucial process is the transformation of an outer-sphere Zn/S complex to an inner-sphere ion pair. Further growth of the latter is fast to generate negatively charged planar clusters. These clusters interact to form more stable, closed structures, which are found to be the global minima configurations in vacuo. At higher temperatures, no outer-sphere ion pairs are formed, and the larger cluster configurations form much more quickly. 相似文献
90.
The salts [(C2H5)3NH]2[M4(SC6H5)10] (M = Zn, Cd) can be prepared by the electrochemical oxidation of the metal in an acetonitrile solution of triethylamine and benzenethiol. An X-ray crystal structure determination shows that the anion consists of a tetrahedron of metal atoms, each carrying a terminal -SC6H5 ligand, and connected to the three other metal atoms by bridging > SC6H5 groups. The results are compared with those for similar compounds reported in the literature. 相似文献