| 液态二氧化硅结构的第一原理分子动力学模拟 |
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| 引用本文： | 陈东明,邓姗珊,牛彝,王丽娜,王海霞.液态二氧化硅结构的第一原理分子动力学模拟[J].哈尔滨师范大学自然科学学报,2010,26(1):72-74. |
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| 作者姓名： | 陈东明 邓姗珊 牛彝 王丽娜 王海霞 |
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| 作者单位： | 哈尔滨师范大学 |
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| 摘 要： | 运用第一原理分子动力学模拟了高温液态二氧化硅体系,得到了它们的对相关函数、均方位移和范霍夫函数的结构信息,研究了3500 K液态二氧化硅的短程有序结构以及动力学性质.
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| 关 键 词： | 第一原理分子动力学 二氧化硅 液态结构 |
First Principles Molecular Dynamics Simulation of Structures of Silica in Liquid Phase |
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| Chen Dongming,Deng Shanshan,Niu Ben,Wang Lina,Wang Haixia.First Principles Molecular Dynamics Simulation of Structures of Silica in Liquid Phase[J].Natural Science Journal of Harbin Normal University,2010,26(1):72-74. |
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| Authors: | Chen Dongming Deng Shanshan Niu Ben Wang Lina Wang Haixia |
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| Institution: | (Harbin Normal University) |
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| Abstract: | High temperature liquid of silca is simulated by the first principles molecular dynamics.The system properties such as radial distribution function,mean square displacement and van Hove function have been got.the short range order and dynamics properties of liquid silaca at 3500 K were investigated. |
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| Keywords: | First principles molecular dynamics Silica Liquid structure |
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