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81.
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Vasquez V. R. Macedo E. A. Zabaloy M. S. 《International Journal of Thermophysics》2004,25(6):1799-1818
A method for fast calculation of viscosity from molecular dynamics simulation is revisited. The method consists of using a steady-state periodic perturbation. A methodology to choose the amplitude of the external perturbation, which is one of the major practical issues in the original technique of Gosling et al. [Mol. Phys. 26: 1475 (1973)] is proposed. The amplitude of the perturbation required for fast caculations and the viscosity values for wide ranges of temperature and density of the Lennard-Jones (LJ) model fluid are reported. The viscosity results are in agreement with recent LJ viscosity calculations. Additionally, the simulations demonstrate that the proposed approach is suitable to efficiently generate viscosity data of good quality. 相似文献
84.
Y. Iwadate K. Fukushima Y. Seki K. Itoh T. Fukunaga M. Misawa H. Matsuura A. Kajinami N. Ohtori N. Umesaki H. Kofuji M. Myochin 《Science and Technology of Advanced Materials》2004,5(5-6):683
Although the melt structure of glass-forming ZnCl2 has so far been well studied, there exists quite little information on the structural change due to anion-substitution. In the present work, the short-range structure of ZnCl2–ZnBr2 mixture melts was analyzed systematically by time-of-flight pulsed neutron diffraction techniques, Raman spectroscopy, molecular orbital calculations, and molecular dynamics simulations. According to radial distribution analysis, it was found that there were tetrahedral structural units of ligand-substituted [ZnClnBr4−n]2− (n=0–4) in these melts, not implying the simple mixing of [ZnCl4]2− and [ZnBr4]2− units. Further detailed estimation indicated that the ligand-substituted complex anions were linked with each other by sharing a common anion. 相似文献
85.
The present study examines the behavior of a classical charged point particle in near-elliptic orbits about an infinitely massive and oppositely charged nucleus, while acted upon by applied electromagnetic radiation. As recently shown for near-circular orbits, and now extended here to the elliptical case, rather surprising nonlinear dynamical effects are readily produced for this simple system. A broad range of stability-like conditions can be achieved by applying radiation to this classical atom. A perfect balance condition is examined, which requires an infinite number of plane waves representing harmonics of the orbital motion. By applying a scale factor to this radiation, stability-like conditions are produced where periodic variations in semimajor and semiminor axes occur for extended periods of time, before orbital decay eventually takes over due to the effects of radiation reaction. This work is expected to lead to both practical suggestions on experimental ideas involving controlling ionization and stabilization conditions, as well as hopefully aiding in theoretical explorations of stochastic electrodynamics. 相似文献
86.
A slider-slab sliding model for hard-to-soft and soft-to-soft sliding systems with abrasive and non-abrasive wear conditions is used to investigate atomic-scale friction. The molecular dynamics simulation uses the Morse potential to calculate interatomic forces between atoms. Separation distance between the slider and the slab is changed to simulate repulsive and attractive interactive force fields exerted on interface between two sliding components. Effects of the interaction potential parameters on the sliding friction are investigated. The relationship of frictional force, normal force and temperature rise of the slider and the slab during sliding are established. Comparison of the hard-to-soft and the soft-to-soft sliding system are carried out and shows different tribological phenomena. 相似文献
87.
88.
利用ANSYS/LS_DYNA的动力学分析功能对GS3050型超高速数控锯床安全防护罩的抗冲击能力进行了数值分析,对刀具碎片侵彻有机玻璃的过程进行了数值模拟.结果表明,采用厚度为15 mm的改性丙烯酸脂有机玻璃作为GS3050锯床的安全防护罩是可靠的.数值分析和试验的结果吻合. 相似文献
89.
在简介自蔓延高温合成技术和耗散结构论的基础上,分析和阐述了自蔓延高温合成材料中的耗散结构,探讨了自蔓延高温合成材料中耗散结构的研究意义。 相似文献
90.
王健娟 《徐州工程学院学报》2000,(4)
本文综合论述了材料力学的课程体系和内在规律,从调动学生学习积极主动性角度出发,对材料力学的绪论讲授、教学思路的确立、类比法的采用、归纳总结及理论联系实际等五个方面进行探讨。 相似文献