液态Co物性的平衡及非平衡分子动力学模拟OA北大核心CSCDCSTPCD
Physical properties of liquid Co by EMD and NEMD method
本文采用EAM作用势,通过平衡分子动力学(EMD)模拟的方法计算了Co熔体的自扩散系数、剪切粘度等物理性质.同时采用非平衡分子动力学(NEMD)方法计算了Co的剪切粘度.研究表明有关传输性质的计算是可与实验比较的,能够反映出液态Co典型的动力学特性.
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 repres…查看全部>>
韩秀峰;王伟民;彭传校
山东大学材料液态结构及其遗传性教育部重点实验室,济南,250061山东大学材料液态结构及其遗传性教育部重点实验室,济南,250061山东大学材料液态结构及其遗传性教育部重点实验室,济南,250061
数理科学
平衡分子动力学非平衡分子动力学物性计算
EMDNEMDphysical properties
《原子与分子物理学报》 2006 (4)
铝合金熔体的流变机械模型及初生相的析出
611-615,5
国家自然科学基金(50301008)山东省自然科学基金(2004BS04016)
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