掺杂一维分子链的局域激发

掺杂一维分子链的局域激发 Local Energy Excition in One\|Dimension\|Chain With an Impurity Molecule 黄胜友 HUANG Sheng\|you 1 first-author 张文炳 ZHANG Wen\|bing 1 任大志 REN Da\|zhi 1 金准智 JIN Zhun\|zhi 1 邹宪武 ZOU Xian\|wu 1 武汉大学物理学系,武汉,430072 武汉大学物理学系,武汉,430072 Department of Physics,Wuhan University Department of Physics,Wuhan University 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 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. 孤子 软球 硬球 局域激发 分子动力学 solitons soft molecule hard molecules local excition molecular dynamics O483;O552.4 国家自然科学基金,教育部重点科学技术项目 1999-03-01 2021-04-01 3