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搜索结果: 1-9 共查到理学 Molecular Dynamics Simulations相关记录9条 . 查询时间(0.124 秒)
We report results of large-scale molecular-dynamics (MD) simulations of dynamic deformation under biaxial tensile strain of pre-strained single-crystalline nanometerscale- thick face-centered cubic (f...
Abstract: Atomistic non-equilibrium molecular dynamics (NEMD) simulations of shock wave compression of quartz have been performed using the so-called BKS semi-empirical potential of van Beest, Kramer ...
Aerosol particles in the atmosphere are important participants in the formation of cloud droplets and have significant impact on cloud albedo and global climate. According to the Köhler theory wh...
2005Vol.44No.5pp.936-940DOI: Elastic Constants of Superconducting MgB2 from Molecular Dynamics Simulations with Shell Model GUO Yun-Dong,1,2 CHEN Xiang-Rong,1,3 YANG Xiang-Dong,1 ...
We study structural and spectral properties of finite classical systems of N two-dimensional charged particles, confined by a parabolic potential rn, and interacting via inverse power-law potentials...
The fragmentation mechanism of the super heated Ni4 cluster is studied by employing the microcanonical molecular dynamics simulations and an empirical model potential. Ni4 cluster is heated up above t...
Abstract: Molecular dynamics simulations were performed of the adsorption of methylene blue (MB) on model beidellite, montmorillonite, and muscovite mica surfaces, using a previously determined empiri...
The high pressure phase transitions and melting of the mantle mineral MgSiO3 with the perovskite structure were investigated using molecular dynamics (MD) simulations of a large system of atoms on a p...
Thermodynamic and transport properties often compositions in the binary system NaAISi04-Si02have beendetermined bythe methodofmoleculardynamics simulation. Thecomputations wereperformed oncollections...

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