Molecular dynamic simulation was used to study the distribution of Re atoms in Ni and Ni3Al and its effect on the microstructure of Ni and Ni3Al.It was found that the content of Re markedly affected the formation of vacancies both in bulk Ni and Ni3Al.Doping Re at the Ni site, the damage on the Ni bulk was weaker than that on Ni3Al.The structures were stable when the content of Re was small in Ni.The damage became obvious when the content of Re increased.When doping Re at the Ni site in Ni3Al, the effect was more obvious.However, the damage on the Ni3Al bulk was very weak when Re atoms occupied the Al sites in Ni3Al.The effect became obvious as the content of Re was 1.0 % and the ratio of vacancy to atoms was about 1.0 %.Re atoms preferred the Al sites to the Ni sites in Ni3Al, and the damage of Re occupying the Al sites in Ni3Al was weaker than that occupying the Ni sites in Ni3Al.