The diffusion of copper in the beryllium crystal is an important factor affecting the performance of the capsule in the inertial confinement fusion experiment. The diffusion coefficient of copper was investigated by molecular dynamics method in the crystal of beryllium, and the relationship between the diffusion concentration and the depth of copper in germanium crystals was analyzed. The results show that the diffusion coefficient of copper atoms is significantly larger when the copper-doped concentration is higher under low temperature conditions. The copper diffusion coefficient is in good agreement with the experiment when the copper-doped is 1.0 at%. The concentration and depth of copper atom diffusion are 0.06 at% and 6.2 ?m, respectively, under the same conditions as the capsule pyrolysis. A 10 ?m thick 0.5 at% copper-doped layer can reduce the diffusion depth of copper atoms in the beryllium crystal. These results could provide useful help for the preparation of higher performance capsule.