Structure and dynamics of sodium disilicate
Structure and dynamics of sodium disilicate
复制标题
二硅酸钠的结构和动力学
DOI：
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发表时间：
1999
期刊：
影响因子：
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通讯作者：
W. Kob
中科院分区：
文献类型：
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作者：
J. Horbach;W. Kob
摘要采用分子动力学计算机模拟方法研究了二硅酸钠的结构和动力学。该结构由部分破坏的四面体SiO4网络和由硅原子和钠原子形成的球形上层结构来描述。该模拟的静态结构因子与中子散射实验的结果吻合得很好。对于1008粒子，由于缺少有助于玻色子峰的模式，在动力学中存在很强的有限尺寸效应。
Abstract The structure and dynamics of sodium disilicate are studied by molecular dynamics computer simulation. The structure is described by a partially destroyed tetrahedral SiO4 network and a spherical superstructure formed by the silicon and sodium atoms. The static structure factor of this simulation is in very good agreement with one from a neutron scattering experiment. For 1008 particles there are strong finite size effects in the dynamics which are due to the absence of modes contributing to the boson peak.