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）

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