Atomistic Simulation of Interaction between Grain Boundary and Dislocations in Ni_3Al

Abstract

Abstract: 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.

Key words: atomistic simulation, grain boundary, dislocation, Ni_3Al

Dongliang LIN(T.L.Lin) Da CHEN Min LU Department of Materials Science,Shanghai Jiaotong University,Shanghai,200030,China. Atomistic Simulation of Interaction between Grain Boundary and Dislocations in Ni_3Al[J]. J Mater Sci Technol, 1993, 9(5): 327-337.

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