Single-kink diffusion was simulated in a 4 lattice by the method of molecular dynamics. The temperature dependence of the single-kink diffusion constant was obtained from the kink mean square displacement and velocity autocorrelation function. When system parameters were chosen such that discrete lattice effects were significant, kink diffusion was found to be a random-walk process that required thermal activation of the kink over its Peierls barrier. Short-time behavior of the kink velocity autocorrelation function revealed trapped oscillations and damped propagation of the kink.

Molecular Dynamics Study of Lattice Kink Diffusion. Combs, J.A., Yip, S.: Physical Review B, 1984, 29[1], 438-45