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Molecular Dynamic Study Of A Single Dislocation In A Two-Dimensional Lennard–Jones System

Author

Listed:
  • 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)

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.

Suggested Citation

  • Miguel Robles & Ville Mustonen & Kimmo Kaski, 2003. "Molecular Dynamic Study Of A Single Dislocation In A Two-Dimensional Lennard–Jones System," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 14(04), pages 407-421.
    • Handle: RePEc:wsi:ijmpcx:v:14:y:2003:i:04:n:s0129183103004620
    DOI: 10.1142/S0129183103004620
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