Development of phase-space sampling molecular dynamics method for long time-scale analysis

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We have developed a phase-space sampling molecular-dynamic method for long-time scale analysis inaccessible to molecular dynamics. Reaction pathway analysis based on the developed method was applied to Shuffle-Glide controversy of dislocation in silicon. As a result, it was found that glide-set dislocation is nucleated at high temperature and low stress and shuffle-set dislocation is nucleated at low temperature and high stress. Results also were applied to semiconductor and MEMS fields.