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用分子动力学模拟方法在1873~300K对液态Ni的微正则系统进行了模拟研究,模拟采用EAM相互作用势对时间和空间的平均,得到了不同温度下Ni的双体分布函数及原子组态变化的重要信息,并利用键对分析技术对模拟结果作了深入讨论。
The molecular dynamics simulation method was used to study the micro-regular system of liquid Ni from 1873K to 300K. The EAM interaction potential was used to simulate the time and space averaging. The distribution function and atomic configuration of Ni at different temperatures Change the important information, and the use of key-pair analysis of the simulation results were discussed in-depth.