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用分子动力学模拟方法在1573－200K的温度范围内对液态Au的微正则系综进行了模拟研究。模拟采用或嵌原子相互作用势对时间和空间的平均，得到了不同温度下Au的润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 simulations were used to simulate the canonical ensembles of liquid Au in the temperature range of 1573-200K. We simulated the average of time and space by using the potential of interaction or embedded atoms, and obtained the important information about the distribution function of Mo and the change of atomic configuration at different temperatures. The simulation results were discussed in detail by using the key-pair analysis technique.