Atomistic modeling of planar faults, dislocations and twins in a non-cubic intermetallic compound

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Published under licence by IOP Publishing Ltd
, , Citation M Khantha et al 1994 Modelling Simul. Mater. Sci. Eng. 2 587 DOI 10.1088/0965-0393/2/3A/012

0965-0393/2/3A/587

Abstract

This paper describes the nature of planar faults, atomic configurations of dislocation cores and a mechanism for the nucleation of twins in a model DO22 intermetallic compound. The results are in good agreement with TEM observations of dislocations and twins in Ni3V, which crystallizes in this structure. The calculations are also helpful in understanding the general deformation features of DO22 compounds.

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