【摘要】 采用分子动力学的计算机模拟方法，研究了溶入液体或固体系统的一个杂质分子的能量局域激发．所采用的结构是在一个硬球系统中掺入一个软球，在保持软球硬度不变的情况下，逐步改变硬球的硬度参数，得出一维情况下软球的能量局域激发与系统中硬球硬度的相互关系更多还原

【Abstract】 By means of molecular dynamics simulations we study local energy excitations of a soft molecule solved in 1D chain. The basic configuration studied is a soft impurity imbeded into a dense system of hard molecules with different stiffness .A general relation between the mean potential energy of soft molecule and the stiffness of hard molecules is presented in 1D system.更多还原