基于分子模拟技术的极端高温条件下材料介电性能的初步研究

Research on Dielectric Properties at Ultra-High Temperature Based on Molecular Simulation Technique

介绍了分子模拟技术及其数学基础和常用的分子模拟软件,然后以氧化硅晶体为例介绍了分子模拟的计算方法,研究了氧化硅材料极端高温下的介电性能,分析了分子模拟的计算结果。结果显示分子模拟技术在研究材料介电性能方面是可行的,表明该方法是一个有着巨大潜力的研究领域。

The molecular simulation technique, its mathematic foundation and the common commercial software are introduced in this paper. Using the quartz as an example, the calculating methods of the molecular simulation are illuminated. The dielectric properties of quartz at ultra-high temperature are studied, and the calculating results of molecular simulation are analyzed. The research results show that the molecular simulation can be applied to study the dielectric properties and it may be a valuable research field in the future.