Atomistic simulations of jog migration on extended screw dislocations

T. Vegge, T. Leffers, O.B. Pedersen, K.W. Jacobsen

    Research output: Contribution to journalConference articleResearchpeer-review


    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 languageEnglish
    JournalMaterials Science and Engineering: A - Structural Materials: Properties, Microstructure and Processing
    Issue numberSI
    Pages (from-to)119-123
    Publication statusPublished - Dec 2001
    EventMeeting of the International Conference on the Strength of Materials - Asilomar (CA), United States
    Duration: 27 Aug 20001 Sept 2000
    Conference number: 12


    ConferenceMeeting of the International Conference on the Strength of Materials
    Country/TerritoryUnited States
    CityAsilomar (CA)


    • atomistic simulations
    • screw dislocations
    • jogs
    • mobility


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