材料期刊网

Molecular Dynamic Simulation of Lattice Distortion Region Produced by Rounded Grain Boundary in Nanocrystalline Materials

Xiaowei WANG , Jingyang WANG , Douxing LI , J.Rifkin

材料科学技术（英文）

The distortion structure in nanocrystalline NiAl is studied using molecular dynamics simulation. The rounded grain boundaries in these nanograins are a direct source for the observed lattice distortion. The change of grain size affects directly the volume fraction of the distorted lattice in the nanograin.

关键词: Molecular dynamic simulation , null , null

Molecular Dynamic Simulation of Lattice Distortion Region Produced by Rounded Grain Boundary in Nanocrystalline Materials

材料科学技术（英文）

关键词:

过冷Ni3Al熔体形核的分子动力学模拟

赵毅 , 赵九洲 , 胡壮麒

金属学报

用分子动力学模拟方法研究了过冷Ni3Al熔体的微观结构演变过程和晶态 相形核的动力学细节. 结果表明, 非晶团簇在形核前已经消失, 不参与形核过程; 晶核为fcc结构和hcp结构的混合体, 呈现不规则形状.

关键词: 分子动力学模拟 , nucleation , atomic cluster , Ni3Al