利用角度修正的嵌入原子方法研究了Ｃｕ（１００），（１１０），（１１１）和（３１１）等８个面的弛豫，得到了与实验符合较好的结果．然后研究了Ｃｕ（１００）面上的自扩散机制，得到了与实验和局域密度近似计算相符合的结论．还计算了（１１０）和（１１１）面的扩散势垒 The relaxation of eight surfaces such as Cu (100), (110), (111) and (311) was investigated by using the angle-modified embedded atom method. The good agreement with the experimental results was obtained. Then the mechanism of self-diffusion on Cu (100) surface has been studied, and the conclusion that is consistent with the experimental and approximate calculation of local density has been obtained. Diffusion barriers for the (110) and (111) planes were also calculated