Abstract
We have performed large-scale atomistic simulations of the migration of elementary jogs on dissociated screw dislocations in Cu. The local crystalline configurations, transition paths. effective masses. and migration barriers for the jogs are determined using an interatomic potential based on the Effective Medium Theory, The minimum energy path through configuration space and the corresponding transition state energy are obtained using the Nudged Elastic Band path technique. We find very similar migration properties for elementary jogs on the (110){110} octahedral slip systems and the (110){110} non-octahedral slip systems. with energy barriers in the 15-19 meV range. (C) 2001 Elsevier Science B.V. All rights reserved.
Original language | English |
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Journal | Materials Science and Engineering: A - Structural Materials: Properties, Microstructure and Processing |
Volume | 319-321 |
Issue number | SI |
Pages (from-to) | 119-123 |
ISSN | 0921-5093 |
DOIs | |
Publication status | Published - Dec 2001 |
Event | Meeting of the International Conference on the Strength of Materials - Asilomar (CA), United States Duration: 27 Aug 2000 → 1 Sept 2000 Conference number: 12 |
Conference
Conference | Meeting of the International Conference on the Strength of Materials |
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Number | 12 |
Country/Territory | United States |
City | Asilomar (CA) |
Period | 27/08/2000 → 01/09/2000 |
Keywords
- atomistic simulations
- screw dislocations
- jogs
- mobility