GRAIN-BOUNDARY SLIDING - AN AB-INITIO SIMULATION

Authors
MOLTENI C FRANCIS GP PAYNE MC HEINE V
Citation
C. Molteni et al., GRAIN-BOUNDARY SLIDING - AN AB-INITIO SIMULATION, Materials science & engineering. B, Solid-state materials for advanced technology, 37(1-3), 1996, pp. 121-126
Citations number
13
Categorie Soggetti
Material Science","Physics, Condensed Matter
Journal title
Materials science & engineering. B, Solid-state materials for advanced technology → ACNP
ISSN journal
09215107
Volume
37
Issue
1-3
Year of publication
1996
Pages
121 - 126
Database
ISI
SICI code
0921-5107(1996)37:1-3<121:GS-AAS>2.0.ZU;2-3
Abstract
We present the results of an ab initio simulation of the sliding proce ss at a Sigma = 5 (001) twist grain boundary in germanium. The sliding takes place through a stick-slip mechanism, mediated by rebonding pro cesses. These in turn affect local groups of a few atoms at the bounda ry interface and are associated with the clearing of gap states. Final ly the effects of temperature on the sliding behaviour have been inves tigated.