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Ab Initio Investigation of Grain Boundary Sliding

Published online by Cambridge University Press:  10 February 2011

M. C. Payne ,
G. P. Francis ,
C. Molteni ,
N. Marzari ,
V. Deyirmenjian  and
V. Heine
M. C. Payne
Affiliation:
Cavendish Laboratory - University of Cambridge, Madingley Road, CAMBRIDGE CB3 OHE (UK)
G. P. Francis
Affiliation:
Cavendish Laboratory - University of Cambridge, Madingley Road, CAMBRIDGE CB3 OHE (UK)
C. Molteni
Affiliation:
Cavendish Laboratory - University of Cambridge, Madingley Road, CAMBRIDGE CB3 OHE (UK)
N. Marzari
Affiliation:
Cavendish Laboratory - University of Cambridge, Madingley Road, CAMBRIDGE CB3 OHE (UK)
V. Deyirmenjian
Affiliation:
Cavendish Laboratory - University of Cambridge, Madingley Road, CAMBRIDGE CB3 OHE (UK)
V. Heine
Affiliation:
Cavendish Laboratory - University of Cambridge, Madingley Road, CAMBRIDGE CB3 OHE (UK)
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Abstract

We are using total energy pseudopotential calculations to carry out an extensive investigation into grain boundary sliding in a number of different systems, in order to understand, at microscopic level, the fundamental mechanisms responsible for this process.

In this paper we present results for the sliding process at the ∑ = 5(001) twist grain boundary in germanium, chosen as a typical covalently bonded material, and contrast them with preliminary results obtained for the ∑ = 5 (001) twist grain boundary in aluminium, a typical metal.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 408: Symposium P – Materials Theory, Simulations, and Parallel Algorithms , 1995 , 283
Copyright
Copyright © Materials Research Society 1996

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References

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