用分子动力学的方法详细模拟纳米铜晶胞随温度与压强变化的规律,得到了铜晶胞体积弹性模量突变的敏感压强点。模拟结果表明:单晶铜的在压强小于75 GPa时体积弹性模量随温度升高而降低,随压强增大而增大;在压强大于75 GPa时,体积弹性模量随温度升高而增大,随压强增大而减小。
The variation relationship of volume-elasticity modulus of crystal Cu with pressure and temperature was analyzed by molecular dynamics simulation,to gain a sensitive point of pressure value.The results shows the volume-elasticity modulus of crystal Cu decreases as temperature rises,but increases as pressure rises before the point 75 GPa;whereas,exceeding the point,the volume-elasticity modulus of crystal Cu increases as temperature rises,but decrease as pressure rises.