The dynamic properties of kinks in the discrete Frenkel-Kontorova model were investigated with the aid of molecular dynamics method. Particular attention was paid to kink propagation, kink-pair nucleation and dislocation propagation under an external force. The activation energies for these 3 processes, as obtained from the simulations, were compared with theoretical values which were calculated using the methods of constraint, and transition state theory. The simulation results were in good agreement with the theoretical ones.

Computer Simulation of Kink Dynamics and Kink-Pair Nucleation in the Discrete Frenkel-Kontorova Model. A.Igarashi, T.Munakata, A.Inoue: Journal of the Physical Society of Japan, 1998, 67[8], 2761-7