Study on modeling of dynamical change of atomic structure due to nonlinear localization

为了研究晶体中激发的本征局域模式的结构和稳定性，我们建立了将分子动力学模拟与周期解的数值迭代法和周期解的线性稳定性分析相结合的数值方法。我们系统地研究了本征局域模的结构和稳定性。结果表明，非线性能量局域化可能导致晶体结构的改变。

We construct the numerical method in which molecular dynamics simulation is combined with numerical iteration method for searching periodic solutions and with linear stability analysis of the periodic solutions in order to investigate the structure and stability of intrinsic localized modes excited in crystals. We investigate the structure and stability of intrinsic localized modes systematically. The results indicate that the possibility of the change of the structure of crystals due to nonlinear energy localizations.