Molecular dynamics simulation of screw dislocation behavior under uniaxial compression: Elastoplastic transition of KCl crystal

Takahiro Kinoshita, Katsuyuki Kawamura, Tsutomu Mashimo

    Research output: Contribution to journalArticlepeer-review

    Abstract

    Molecular dynamics (MD) simulations of screw dislocation behavior in KCl crystal under uniaxial compression along the [100] axis direction were performed to discuss elastoplastic transition under shock compression. The original screw dislocation was dissociated into one screw dislocation and two edge dislocations then generated edge dislocations moved along 45degrees to the compression direction under uniaxial compression. Simulation results showed the minimum stress for dissociation of screw dislocation and generated edge dislocation motion was from 3.1 to 3.3GPa. Its stress is larger than the stress in case of uniaxial compression for edge dislocation. The large stress may be caused by the difficulty in moving ions due to a helical configuration around screw dislocation core and dissociation of screw dislocations.

    Original languageEnglish
    Pages (from-to)363-367
    Number of pages5
    JournalZairyo/Journal of the Society of Materials Science, Japan
    Volume57
    Issue number4
    DOIs
    Publication statusPublished - Apr 2008

    Keywords

    • Dislocation
    • Elastoplastic transition
    • Molecular dynamics simulation
    • Shock compression

    ASJC Scopus subject areas

    • General Materials Science
    • Condensed Matter Physics
    • Mechanics of Materials
    • Mechanical Engineering

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