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101.
Q. Sun Q. Wang X.G. Gong V. Kumar Y. Kawazoe 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,18(1):77-81
We report results of the atomic and electronic structures of Al7C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is
found to be the one in which carbon atom occupies an interstitial position in Al7 cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al7C- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al7C- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al7N which has the same number of valence electrons as in Al7C- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al7N)2 to study interaction between magic clusters.
Received 28 July 2001 相似文献
102.
B. Dubrulle F. Hersant 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,26(3):379-386
We generalize an analogy between rotating and stratified shear flows. This analogy is summarized in Table 1. We use this analogy
in the unstable case (centrifugally unstable flow vs. convection) to compute the torque in Taylor-Couette configuration, as a function of the Reynolds number. At low Reynolds
numbers, when most of the dissipation comes from the mean flow, we predict that the non-dimensional torque G = T/ν2
L, where L is the cylinder length, scales with Reynolds number R and gap width η, G = 1.46η3/2(1 - η)-7/4
R
3/2. At larger Reynolds number, velocity fluctuations become non-negligible in the dissipation. In these regimes, there is no
exact power law dependence the torque versus Reynolds. Instead, we obtain logarithmic corrections to the classical ultra-hard (exponent 2) regimes: G = 0.50
. These predictions are found to be in excellent agreement with avail-able experimental data. Predictions for scaling of velocity
fluctuations are also provided.
Received 7 June 2001 and Received in final form 7 December 2001 相似文献
103.
S.-Y. Sheu D.-Y. Yang H.L. Selzle E.W. Schlag 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(3):557-563
Charge transport is one important example of signal transduction in a protein which is responsible for action at a distance,
and is a fundamental process in biochemical action. A model is presented in which electronic effects interact with motional
processes to combine into a bifunctional model. This model is investigated with new detailed molecular dynamics calculations
and successfully explains such action at a distance.
Received 1st February 2002 / Received in final form 26 May 2002 Published online 13 September 2002 相似文献
104.
105.
C M Srivastava 《Pramana》1989,32(3):251-267
A theory of high temperature superconductivity in YBa2Cu3O7_δ compound has been developed on the basis of the momentum pairing of electrons through the relativistic Darwin interaction.
The transport behaviour of electrons is explained in terms of a mechanism of correlated electron transfer arising from the
electron-phonon coupling. A model Hamiltonian has been developed to describe the superconducting properties of the system.
This gives an energy gap which is higher than the BCS value. Attempts have been made to explain the absence of isotope effect,
the linear dependence of specific heat, the presence of larger temperature-independent paramagnetism in the normal phase and
the softening of some of the optic phonon modes observed in this system. 相似文献
106.
高效液相色谱切换波长法测定油菜内源激素 总被引:1,自引:0,他引:1
采用反相高效液相色谱法(HPLC)切换波长法同时测定油菜中的内源激素赤霉素(GA3)、3-吲哚乙酸(IAA)和脱落酸(ABA),以甲醇:水:乙腈(20:60:20)为流动相,结果显示其检出限分别为GA3:0.08mg/L;IAA:0.015mg/L;ABA:0.025mg/L,比单波长检测的检出限提高了4-10倍;相对标准偏差(RSD)分别为GA3:6.3%,IAA:4.34%,ABA:7.95%.本实验采用切换波长法,显著减低了各组分的检出限,建立了一种以高灵敏度对多组分体系同时进行检测的方法.同时为快速、准确测定油菜内源激素提供了可靠方法. 相似文献
107.
S. Meenakshi B.K. Godwal I. Orgzall S. Tkachev 《Journal of Physics and Chemistry of Solids》2006,67(8):1660-1667
We report the results of an X-ray diffraction study of CdAl2Se4 and of Raman studies of HgAl2Se4 and ZnAl2Se4 at room temperature, and of CdAl2S4 and CdAl2Se4 at 80 K at high pressure. The ambient pressure phase of CdAl2Se4 is stable up to a pressure of 9.1 GPa above which a phase transition to a disordered rock salt phase is observed. A fit of the volume pressure data to a Birch-Murnaghan type equation of state yields a bulk modulus of 52.1 GPa. The relative volume change at the phase transition at ∼9 GPa is about 10%. The analysis of the Raman data of HgAl2Se4 and ZnAl2Se4 reveals a general trend observed for different defect chalcopyrite materials. The line widths of the Raman peaks change at intermediate pressures between 4 and 6 GPa as an indication of the pressure induced two stage order-disorder transition observed in these materials. In addition, we include results of a low temperature Raman study of CdAl2S4 and CdAl2Se4, which shows a very weak temperature dependence of the Raman-active phonon modes. 相似文献
108.
The present paper devotes to the long-time behavior of a class of reaction diffusion equations with delays under Dirichlet boundary conditions. The stability and global attractability for the zero solution are provided, and the existence, stability and attractability for the positive stationary solution are also obtained. 相似文献
109.
Claudio Simeone 《General Relativity and Gravitation》2002,34(11):1887-1893
A consistent quantization with a clear notion of time and evolution is given for the anisotropic Kantowski–Sachs cosmological model. It is shown that a suitable coordinate choice allows to obtain a solution of the Wheeler–DeWitt equation in the form of definite energy states, and that the results can be associated to two disjoint equivalent theories, one for each sheet of the constraint surface. 相似文献
110.
Let G=(V(G),E(G)) be a graph. A (n,G, λ)‐GD is a partition of the edges of λKn into subgraphs (G‐blocks), each of which is isomorphic to G. The (n,G,λ)‐GD is named as graph design for G or G‐decomposition. The large set of (n,G,λ)‐GD is denoted by (n,G,λ)‐LGD. In this work, we obtain the existence spectrum of (n,P3,λ)‐LGD. © 2002 Wiley Periodicals, Inc. J Combin Designs 10: 151–159, 2002; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/jcd.10008 相似文献