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Computer Simulation of Grain Boundary Structures in Ni3 Al

Published online by Cambridge University Press:  16 February 2011

Dongliang Lin ,
T. L. Lin  and
Da Chen
Dongliang Lin
Affiliation:
Department of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200030, China
T. L. Lin
Affiliation:
Department of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200030, China
Da Chen
Affiliation:
Department of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200030, China
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Abstract

The embedded atom type potentials and static relaxation method combined with steepest gradient computational technique have been used to simulate the grain boundary cohesive energies, the distribution of electron density and stress field in the grain boundary region, and other related problems of [100], [110] and [111] symmetric tilt grain boundaries in Ni3 Al with different grain boundary geometrical index and composition. Their relations with the segregation of boron, behaviors of the grain boundary, and especially the stoichiometrical effect of B induced ductility have also been studied and discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 193: Symposium Q – Atomic Scale Calculations of Structure in Materials , 1990 , 265
Copyright
Copyright © Materials Research Society 1990

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References

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