MOLECULAR DYNAMIC STUDY OF A SINGLE DISLOCATION IN A TWO-DIMENSIONAL LENNARD–JONES SYSTEM

Miguel Robles (), Ville Mustonen () and Kimmo Kaski ()
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Miguel Robles: Helsinki University of Technology, Laboratory of Computational Engineering, P. O. Box 9400, FIN-02015 HUT, Finland
Ville Mustonen: Helsinki University of Technology, Laboratory of Computational Engineering, P. O. Box 9400, FIN-02015 HUT, Finland
Kimmo Kaski: Helsinki University of Technology, Laboratory of Computational Engineering, P. O. Box 9400, FIN-02015 HUT, Finland

International Journal of Modern Physics C (IJMPC), 2003, vol. 14, issue 04, 407-421

Abstract: In this work the motion of a single dislocation in a two-dimensional triangular lattice is studied by using classical Molecular Dynamics method with the Lennard–Jones inter-atomic potential. The dislocation motion is investigated with an interactive simulation program developed to track automatically the movement of lattice defects. Constant strain and constant strain-rate deformations were applied to the system. From constant strain simulations a curve of shear stress versus dislocation velocity is obtained, showing a nonlinear power law relation. An equation of motion for the dislocation is proposed and found to be applicable when the movement of dislocation follows a quasi-static process. Numerical simulations at different strain rates show an elastic-to-plastic transition that modifies the dynamics of the dislocation motion.

Keywords: Dislocation dynamics; molecular dynamics; two dimensions; elastic–plastic behavior (search for similar items in EconPapers)
Date: 2003
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DOI: 10.1142/S0129183103004620

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