温度和保温时间对铜/铝薄膜的界面扩散性能及力学性能影响的分子动力学模拟

Molecular Dynamics Simulation of Effect of Temperature and Holding Time on Interface Diffusion Performance and Mechanical Properties of Copper/Aluminum Film

利用分子动力学方法研究保温温度和保温时间对铜/铝薄膜界面扩散及力学性能的影响。结果表明:铜原子扩散到铝侧的数目比铝原子扩散到铜侧的多。铜原子能扩散到铝侧的深处,铝原子只在界面处有扩散。铝的扩散系数大于铜的。铜铝在较低温度下扩散不明显,在800 K下扩散较好。因此确定模拟界面扩散时的保温温度为800 K。随着保温时间的增加,过渡层的厚度先增大后基本保持不变。当在800 K下保温1.2 ns时,铜/铝薄膜的力学性能最佳。

The effects of holding temperature and holding time on the interface diffusion and mechanical properties of Cu/Al film were investigated by using molecular dynamics simulations. The results indicate that the number of Cu atoms diffusing into Al side is larger than that of Al atoms diffusing into Cu side. Cu atoms diffuse into the depth of Al side, and Al atoms only diffuse in the interface. The diffusion coefficient of Al is larger than that of Cu. The diffusion of Cu and Al is not obvious at lower temperatures and the diffusion is better at 800 K. Therefore, 800 K is identified as the holding temperature of simulated interface diffusion. With the holding time increasing, the thickness of the transion layer increases and then basically remains unchanged. When keeping at 800 K for 1.2 ns, Cu/Al film achieves the best mechanical properties.