Dynamical instability of atomic motion in a silicon crystal

摘要

Dynamical nature of atomic motion in a silicon crystal is investigated from the information theoretic standpoint with time series analysis about numerical solutions of molecular dynamics simulation based on a set of Newton's equations including Tersoff's potential. The atomic motion exhibits an exponentially rapid decay of the average mutual information with time. These observations may he interpreted as a signature of microscopic dynamical instability in solid crystals.