Atomistic Simulation of Interaction between Grain Boundary and Dislocations in Ni₃Al

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

摘 要：<正> The embedded atom type potentials and static relaxation method combined with a steepest decentcomputational technique have been used to simulate the interaction between the grain boundary（GB） and dislocations in Ni₃Al alloys.The focus has been placed on the energy feature of theinteraction,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 forB-enhanced ductility.

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