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81.
This paper systematically studies the rolling effects of the (n, n) single-wall carbon nanotubes (SWCNT) with different curvatures on Rh adsorption behaviours by using density functional theory. The outside charge densities of SWCNTs are found to be higher than those inside, and the differences decrease with the increase of the tube radius. This electronic property led to the discovery that the outside adsorption energies are higher than the inside ones, and that the differences are reduced with the increase of the tube radius. Partial density of states and charge density difference indicate that these strong interactions induce electron transfer between Rh atoms and SWCNTs. 相似文献
82.
给出了时变参数PGM(1,1)模型的数值解法,比较了其与GM(1,1)、PGM(1,1)模型的预测精度,分析了灰区间作为预测结果的可靠性。 相似文献
83.
利用最优正则化方法确定Tikhonov正则化参数 总被引:4,自引:0,他引:4
基于均方误差最小意义下运用最优正则化方法确定正则参数,推导了计算最优正则参数的公式,并结合算例分析比较了求解病态方程的L-曲线法、GCV法等常用的方法,算例表明,基于最小均方误差的Tikhonov正则化参数优化选取方法是一种可行有效的方法。 相似文献
84.
This paper deals with the general class of Bianchi cosmological models with bulk viscosity and particle creation described by full causal thermodynamics in Brans-Dicke theory. We discuss three types of average scale-factor solutions for the general class of Bianchi cosmological models by using a special law for the deceler- ation parameter which is linear in time with a negative slope. The exact solutions to the corresponding field equations are obtained in quadrature form and solutions to the Einstein field equations are obtained for three different physically viable cosmologies. All the physical parameters are calculated and discussed in each model. 相似文献
85.
86.
This paper calculates the structural parameters, electronic and optical properties of orthorhombic distorted perovskite-type TbMnO3 by first principles using density functional theory within the generalised gradient approximation. The calculated equilibrium lattice constants are in a reasonable agreement with theoretical and experimental data. The energy band structure, density of states and partial density of states of elements are obtained. Band structures show that TbMnO3 is an indirect band gap between the O 2p states and Mn 3d states, and the band gap is of 0.48 eV agreeing with experimental result. Furthermore, the optical properties, including the dielectric function, absorption coefficient, optical reflectivity, refractive index and energy loss spectrum are calculated and analysed, showing that the TbMnO3 is a promising dielectric material. 相似文献
87.
88.
The present paper focuses on selected plasticity and damage‐plasticity models for describing the 3D material behavior of concrete. In particular, a plasticity model and a damage‐plasticity model are reviewed and evaluated. Based on the results of the evaluation, enhancements are proposed, aiming at improving the correspondence between predicted and observed material behavior and aiming at implementing a robust and efficient stress update algorithm in a finite element program for performing large‐scale 3D numerical simulations of concrete structures. The capabilities of the concrete models are demonstrated by 3D numerical simulations of benchmark tests with combined bending and torsional loading and combined compression and shear loading and by a large‐scale 3D finite element analysis of a model test of a concrete arch dam. Copyright © 2011 John Wiley & Sons, Ltd. 相似文献
89.
S. I. Braginsky 《地球物理与天体物理流体动力学》2013,107(1-4):89-134
Abstract The physics of the geodynamo is discussed. The main processes relevant for the buoyancy driven geodynamo are isolated. The successive stages of development of geodynamo theory are briefly described. The mechanism of local turbulence in the Earth's core is explained, and an estimate is presented of the turbulent transport of density inhomogeneities in the Earth's core. The significance of this turbulent transport to the geodynamo mechanism is stressed. The general scheme of the complete geodynamo theory of the future is outlined. 相似文献
90.