In this study, the hyper-MD method developed by Hamelberg
et al. [9–12] was applied to the diffusion behavior of a single SIA
in a-iron by enhancing the hopping rate of the single SIA, particularly
at low temperatures.
By comparing the calculated results to
the evaluated SIA diffusion properties, the validity of the local bias
potential was explored, and the factors for boosting the diffusion
behavior over a wide range of temperatures were also evaluated.