nb、ta等元素对zr基大块非晶形成能力及耐腐蚀性影响机理研究.pdf

21 2 腐蚀科学与防护技术 Vo.l 21No. 2 2009 3 CORROSION SCIENCE AND PROTECTION TECHNOLOGY M ar. 2009 NbTa Zr 张辉, 杨爽, 张国英, 吴迪, 戚克振 , 110034 : Zr Zr N i. Zr N i N i 2 2 Zr. N i NbTaT iV . , NbTaT i V Zr N i, , NbTa; NbV Zr, Zr , ; Ta Zr. T i Zr. , Nb, Zr, Nb, . : ; Zr; ; + : TG1111, TG 139 . 8 : A : 1002-6495( 2009) 02-0149-03 INFLUENCE OF Nb, Ta AND OTHER ELEMENTS ON GLASS FORM ING AB ILITY AND CORROSION RESISTANCE OF Zr-BASED AMOPHOUS ALLOY ZHANG Hu i, YANG Shua g, ZHANG Guo-yi g, WU D,i Q IKe-zhe College of Physics Science and Technology, Shenyang N orm al University, Shenyang 110034 Abstract: The atom ic structure model of phase ZrN i co tai i g icosahedro cluster i Zr-based amor- 2 phous alloysw ere co structed by computer programm i g. The icosahedro cluster i Zr-based amorphous alloysw as smi u lated by usi g the icosahedral clusterw ith a N i atom at the ce ter a d 12 Zr( or partly re- p laced by Nb, Ta, T,i V ) atoms as earest eighbors i Zr N i prmi ary precipitatiio phase. The LDOS 2 curves of alloyi g eleme t wh ich substituted the atom s at the ce ter or at the cor er of icosahedro clus- ter, the total bo d order i tegral( BOI) betw ee the ce terN i atom a d its eighbor( Zr, Nb, Ta, T,i V ) i the icosahedro cluster, a d the Ferm i levels of the icosahedro cluster co tai i g alloyi g eleme ts w ere calculated. The resu lts show ed that the BOI is decreased by Nb, Ta, T,i V substituti g