%0 Journal Article
%T Ni/Ni3Al grain boundary of Ni-based single superalloys: molecular dyn amics simulation<br>镍基单晶超合金Ni/Ni3Al晶界的分子动力学模拟
%A Wen Yu-Hu
%A Zhu Tao
%A Cao Li-Xia
%A Wang Chong-Yu
%A <br>文玉华
%A 朱 弢
%A 曹立霞
%A 王崇愚
%J 物理学报
%D 2003
%I 
%X In this paper, molecular dynamics simulations are used to study the structure of Ni-based single superalloys with a {100} Ni/Ni3Al grain boundary. Tw o differe nt initial models are relaxed at 300K using Finnis-Sinclair-type potential. Our simulations reveal that the misfit energy due to the difference of their lattice constants is released not by long-range lattice misfit but by forming dislocati ons in local regions. Due to the surrounding differences of Ni3Al pha se in Ni-based phase, the dislocations formed are different.
%K Ni-based single superalloy
%K grain boundary
%K molecular dynamics simulation<br>镍基单晶超合金，
%K 晶界，
%K 分子动力学模拟
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=58DD4C90E5B2C8D7&yid=D43C4A19B2EE3C0A&vid=286FB2D22CF8D013&iid=F3090AE9B60B7ED1&sid=CD62F1CBC9F2B308&eid=16A32B3F11A2E663&journal_id=1000-3290&journal_name=物理学报&referenced_num=2&reference_num=11