【摘要】 为了探究温度和空位浓度对Cu₃Sn层中各元素扩散行为的影响，基于分子动力学方法，使用LAMMPS软件模拟了Cu₃Sn层上空位浓度以及温度对各元素扩散系数的影响。结果表明，Cu₃Sn层各元素的扩散系数均随温度的升高而增大。与不含空位相比，当Cu₃Sn层中存在10%空位时，原子运动更加剧烈，扩散系数增大。进一步研究发现，在一定的温度下（900 K）,空位含量增大，扩散系数随之增大。然而，空位含量变化不如温度对扩散系数的影响大。最后，在相同条件下，Cu1和Cu2原子的扩散系数相差不大，且均大于Sn的扩散系数，Cu₃Sn层中的主要扩散元素是Cu。更多还原

【Abstract】 To explore how temperature and vacancy content affect the element diffusion in Cu₃Sn layer, LAMMPS software was used to simulate the effect of vacancy content and temperature on diffusivity in Cu₃Sn layer based on molecular dynamics method. The results show that the diffusivity is affected by both temperature and vacancy. Besides, the atomic diffusion coefficient increases with temperature. Compared with no vacancy, 10% vacancy in Cu₃Sn layer gives more intense atomic motion and increased diffusivity. Under the same temperature（say 900 K）, the diffusion coefficient increases with vacancy content. However, vacancy content has less effect than temperature on diffusion. Finally, the diffusivity of Cu1 and Cu2 atoms are almost the same, which are both greater than that of Sn atom under almost all conditions. The main diffusion element in Cu₃Sn layer is Cu.更多还原