J Mater Sci Technol ›› 2002, Vol. 18 ›› Issue (03): 254-256.

• Research Articles • Previous Articles     Next Articles

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

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

  1. Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China...
  • Received:1900-01-01 Revised:1900-01-01 Online:2002-05-28 Published:2009-10-10
  • Contact: Xiaowei WANG

Abstract: 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.

Key words: Molecular dynamic simulation, Nanocrystalline, Distortion region