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高压下石墨到金刚石转变等温线理论计算
引用本文:张宏,李王润,曾勇,杨向东. 高压下石墨到金刚石转变等温线理论计算[J]. 四川大学学报(工程科学版), 1997, 0(6)
作者姓名:张宏  李王润  曾勇  杨向东
作者单位:四川联合大学高温高压与原子分子科学研究所,成都大学数理系,北京理工大学光学系
摘    要:本文用统一的排列模型研究石墨及金刚石在高压下的状态方程。假定能量项可以简单相加,冷能形式取为修正的Birch方程,晶格振动部分用爱因斯坦模型进行计算,电子的热贡献采用低温电子比热和能量形式。利用上述模型我们计算了石墨相变到金刚石以及金刚石溶解的等温线。

关 键 词:石墨;金刚石;等温线

Theoretical Study of Isotherms from Graphite to Diamond under High Pressure
Zhang Hong Li Yurun Zeng Yong Yang Xiangdong. Theoretical Study of Isotherms from Graphite to Diamond under High Pressure[J]. Journal of Sichuan University (Engineering Science Edition), 1997, 0(6)
Authors:Zhang Hong Li Yurun Zeng Yong Yang Xiangdong
Affiliation:Zhang Hong Li Yurun Zeng Yong Yang Xiangdong
Abstract:In this paper we have studied EOS of graphite and diamond under high pressure through a unified scaling model.Simple additivity of the energy terms is assumed and the cold curve is a modified Birch form.The lattice themal effects can be computed by the Einstein model while the electronic contributions are represented by the low temperature from of heat capacity and energy.Using the above model,we have determined the isotherms from graphite to diamond and from diamond to its liquid.
Keywords:graphite  diamond  hugoniot curve  
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