哈尔滨商业大学学报（自然科学版）Issue(2)：199-202,4.
玻璃形成液体其内在结构中的二十面体
Study on icosahedral order in inherent structures of glass-forming liquids
李荣娟 1孙民华 2郑大宇3
作者信息
- 1. 哈尔滨商业大学能源与建筑工程学院，哈尔滨 150076
- 2. 京都大学环境资源工程学院 京都 日本 6158540
- 3. 哈尔滨师范大学物理与电子工程学院，哈尔滨 150025
- 折叠
摘要
Abstract
The molecular dynamics simulation with potential energy landscape model was ap-plied to investigate the glass-forming liquids .In this paper , a new bond angle distribution or-der parameter ( An) was used to describe the structural order of the inherent structure ( IS) in the glass-forming liquids .The variation of hexahedron , octahedron , and icosahedral order with temperature was discussed in typical and IS liquids .As a results, hexahedron, octahed-ron , and icosahedral order with temperature changed slightly , while the changing of icosahe-dral order was much obvious .There was more icosahedron order in IS than typical liquids and the icosahedral order was the prominent packing structure of the stable IS .The glass transition was a process of typical liquids approaching IS .It was also an increasing process of icosahedron order .关键词
分子动力学模拟/势能曲面/玻璃转变/内在结构/二十面体序Key words
molecular dynamics simulation/potential energy landscape/glass-forming tran-sition/icosahedral order分类
数理科学引用本文复制引用
李荣娟,孙民华,郑大宇..玻璃形成液体其内在结构中的二十面体[J].哈尔滨商业大学学报（自然科学版）,2014,(2):199-202,4.
