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Temperature and Strain Rate Effects in Grain Boundary Sliding

Published online by Cambridge University Press:  10 February 2011

C. Molteni ,
G. P. Francis ,
M. C. Payne  and
V. Heine
C. Molteni
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)
M. C. Payne
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 have performed total energy density functional theory calculations to investigate the sliding process at the ∑ = 5 (001) twist grain boundary in germanium. The accurate quantum mechanical description of the interatomic bonding provides valuable insights into the mechanisms of bond breaking and remaking that occur during the sliding.

In this paper we show how total energy calculations can be used to describe finite temperature and strain rate effects in this grain boundary.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 408: Symposium P – Materials Theory, Simulations, and Parallel Algorithms , 1995 , 277
Copyright
Copyright © Materials Research Society 1996

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References

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