%0 Journal Article
%T Study of the influence mechanism of additional elements on the corrosion behavior of bulk Cu-based amorphous alloys<br>铜基大块非晶合金添加微量元素对腐蚀行为的影响机理研究
%A Zhang Hui
%A Wu Di
%A Zhang Guo-Ying
%A Xiao Ming-Zhu
%A <br>张辉
%A 吴迪
%A 张国英
%A 肖明珠
%J 物理学报
%D 2010
%I 
%X The liquid state Cu-Al alloy system was simulated by using the molecular dynamics method, then Cu-Al amorphous alloy is obtained by cooling process simulation. This article firstly sets up crystalline Cu-Al alloy liquid by using the molecular dynamics. The models of Cu-Al-M bulk amorphous alloys, their clean surfaces and their surfaces with O adsorption are set up by computer programming. The influence mechanism of additional elements Zr, Nb, Ta, V, Y and Sc on the corrosion behavior of bulk Cu-based amorphous alloys are investigated by using real-place recursive method. Results show that the alloying elements do not aggregate on the clean surface of bulk Cu-based amorphous alloys, but tend to aggregate on the surface with O adsorption with the exception of Y, which indicates that the segregation of the bulk Cu-based amorphous alloy surface with O adsorption is reversed. Calculations of the total bond order integral show that additional element can interact with oxygen easily to form oxide film on the surface of Cu-based amorphous alloys, which can improve the corrosion resistance of bulk Cu-based amorphous alloys. The improvement in corrosion resistance of Cu-based metallic glass with Y addition may be due to the aggregation of Y to the interface between alloy and oxide film, which improves the adhesion.
%K electronic structure
%K Cu-based bulk amorphous alloys
%K corrosion behavior<br>电子结构，
%K Cu基大块非晶合金，
%K 腐蚀行为
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=29DF2CB55EF687E7EFA80DFD4B978260&aid=064019A1AE205A4A7AB4B52D9CF431B6&yid=140ECF96957D60B2&vid=6AC2A205FBB0EF23&iid=CA4FD0336C81A37A&sid=8CE1095CD639AEF4&eid=8C267C8DC97FEEEF&journal_id=1000-3290&journal_name=物理学报&referenced_num=0&reference_num=0