Lennard-Jones Centre for Computational Materials Science

COMPUTER SIMULATIONS OF THE STRUCTURE AND PROPERTIES OF GRAIN BOUNDARY DISLOCATIONS.

Bristowe, PD (1986) COMPUTER SIMULATIONS OF THE STRUCTURE AND PROPERTIES OF GRAIN BOUNDARY DISLOCATIONS. Transactions of the Japan Institute of Metals, Supplement, 27. pp. 89-98.

Full text not available from this repository.

Abstract

The core structure of intrinsic grain boundary dislocations embedded in left bracket 001 right bracket twist grain boundaries has been modelled using conventional atomistic techniques and a variety of empirical and pseudo-potentials representing fcc metals. In particular the width of the dislocation core region in the boundary plane has been studied as a function of the periodicity of the boundary SIGMA and interatomic potential. Generally, the core width increases with increasing SIGMA and is wider than that of lattice dislocations. Also the core width of twist grain boundary dislocations can be wider than that of tilt grain boundary dislocations. The presence of resolvable cusps on the computed energy/misorientation curve is related to the degree of core localization and the formation of domains of relatively low energy structure. The results are compared to transmission electron microscope observations, previous calculations, and the structural unit/grain boundary dislocation model.

Item Type: Article
Subjects: UNSPECIFIED
Divisions: UNSPECIFIED
Depositing User: Unnamed user with email sms67@eng.cam.ac.uk
Date Deposited: 05 Mar 2014 14:44
Last Modified: 18 Feb 2021 20:14
DOI:

Actions (login required)

View Item