论文标题
第一原则的分子动力学模拟液体依赖性
First-principles molecular dynamics simulation of liquid indium
论文作者
论文摘要
我们报告了在各种压力和温度下对液体依赖的AB-Initio模拟。我们计算状态方程，热膨胀和可压缩系数。通过径向分布函数和结构因子分析系统的结构。将结果与可用的实验数据进行比较。
We report an ab-initio simulation of liquid Indium in a wide range of pressures and temperatures. We calculate equation of state, thermal expansion and compressibility coefficients. The structure of the system is analyzed by radial distribution functions and structure factors. The results are compared with available experimental data.
