A Molecular Dynamics Approach to Grain Boundary Structure and Migration

R. M. J. Cotterill, Torben Leffers, Hans Lilholt

    Research output: Contribution to journalJournal articleResearchpeer-review

    Abstract

    It has been demonstrated that grain boundary formation from the melt can be simulated by the molecular dynamics method. The space between two mutually-misoriented crystal slabs was filled with atoms in a random manner and this liquid was then cooled until crystallization occurred. The general features of the resulting grain boundary are found to depend on the temperature and on the pressure applied to the outer crystal face.
    Original languageEnglish
    JournalPHILOSOPHICAL MAGAZINE
    Volume30
    Issue number2
    Pages (from-to)265-275
    ISSN0031-8086
    DOIs
    Publication statusPublished - 1974

    Fingerprint Dive into the research topics of 'A Molecular Dynamics Approach to Grain Boundary Structure and Migration'. Together they form a unique fingerprint.

    Cite this