湖南大学学报（自然科学版）2013，Vol.40Issue(3)：65-70,6.
Re对Ni和Ni3Al结构稳定性影响的分子动力学模拟研究
Effect of Re on the Structure Stability of Ni and Ni3Al:A Molecular Dynamics Study
摘要
Abstract
Molecular dynamic simulation was used to study the distribution of Re atoms in Ni and Ni3 Al and its effect on the microstructure of Ni and Ni3 Al.It was found thatthe content of Re markedly affected the formation of vacancies both in bulk Ni and Ni3 Al.Doping Re at theNi 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 Ni3 Al,and the damage of Re occupying the Al sites in Ni3Al was weaker than that occupying the Ni sites in Ni3 Al.关键词
分子动力学/镍基单晶高温合金/铼/结构稳定性/空位Key words
molecular dynamics/ nickel-based superalloy/ Re/ structure stability/ vacancy分类
数理科学引用本文复制引用
邓辉球,刘晶,胡望宇..Re对Ni和Ni3Al结构稳定性影响的分子动力学模拟研究[J].湖南大学学报（自然科学版）,2013,40(3):65-70,6.基金项目
国家自然科学基金资助项目(51071063) （51071063）
