原子与分子物理学报2006，Vol.23Issue(4)：611-615,5.
液态Co物性的平衡及非平衡分子动力学模拟
Physical properties of liquid Co by EMD and NEMD method
摘要
Abstract
The equilibrium molecular dynamics (EMD) simulation has been performed to calculate physical properties such as self-diffusion coefficient and shear viscosity of Co melt using embedded atom method (EAM). By contrast, we calculate the shear viscosity of Co via Nonequilibrium molecular dynamics (NEMD) method subjected to a planar Couette shear flow. This study shows that computations of these transport properties are feasible and reliable and can give a representative dynamics property of liquid Co.关键词
平衡分子动力学/非平衡分子动力学/物性计算Key words
EMD/NEMD/physical properties分类
数理科学引用本文复制引用
韩秀峰,王伟民,彭传校..液态Co物性的平衡及非平衡分子动力学模拟[J].原子与分子物理学报,2006,23(4):611-615,5.基金项目
国家自然科学基金(50301008) （50301008）
山东省自然科学基金(2004BS04016) （2004BS04016）
