材料期刊网

Atomistic Simulation of Interaction between Grain Boundary and Dislocations in Ni_3Al

Dongliang LIN(T.L.Lin) Da CHEN Min LU Department of Materials Science , Shanghai Jiaotong University , Shanghai , 200030 , China

材料科学技术（英）

The embedded atom type potentials and static relaxation method combined with a steepest decent computational technique have been used to simulate the interaction between the grain boundary (GB) and dislocations in Ni_3Al alloys.The focus has been placed on the energy feature of the interaction,the distortion of GB structural units,and the dislocation core structure near the GB.Im- plication has also been made on the results for the understanding of the mechanism responsible for B-enhanced ductility.

关键词: atomistic simulation , null , null , null