Understanding the wetting behavior of copper droplet on graphite substrate has important engineering significance for guiding the preparation of Cu/graphite (Cu–C) composite materials. This paper used the molecular dynamics simulation method to analyze the wetting behavior of Cu droplet on the graphite substrate with different Ar pressures at the atomic scale, which ranged from 0 to 3 atm. The molecular dynamics simulation results indicated that for temperatures below 1300 K, Ar pressure hindered the wetting of droplet, while for temperatures above 1300 K, Ar pressure promoted the wetting process of droplet on the graphite substrate. However, in systems with Ar pressure higher than 1.2 atm, the improvement of wetting by Ar pressure no longer increases. In addition, Ar pressures increased the potential of mean force of Cu droplets leaving the graphite substrates, making it more difficult for droplets to detach from the substrates.

了解铜液滴在石墨基底上的润湿行为对于指导铜/石墨（Cu-C）复合材料的制备具有重要的工程意义。本文采用分子动力学模拟方法，在原子尺度上分析了不同Ar压力（0~3 atm）下Cu液滴在石墨基体上的润湿行为。分子动力学模拟结果表明，当温度低于1300 K时，Ar压力阻碍了液滴的润湿，而当温度高于1300 K时，Ar压力促进了液滴在石墨基底上的润湿过程。然而，在Ar压力高于1.2 atm的系统中，Ar压力对润湿的改善不再增加。此外，