Bonding Strength of Ni/Ni3Al Interface with Different Lattice Misfit

查看全文 作　　者：Ping PENG Caixing ZHENG Shaochang HAN Zhaohui JIN Rui YANG Zhuangqi [1,2]HU 机构地区：[1]Materials Science and Engineering College, Hunan University, Changsha 410082, China;[2]Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences,Shenyang 110016, China Materials Science and Engineering College, Hunan University, Changsha 410082, China Materials Science and Engineering College, Hunan University, Changsha 410082, China Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences,Shenyang 110016, China Titanium Alloy Laboratory, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences,Shenyang 110016, China 出　　处：《Journal of Materials Science & Technology》索引2003年第19卷第z1期,共3页 摘　　要：The interfacial binding covalent bond density (CBD) and the local environmental total bond order (LTBO) of the Ni/Ni3Alinterface with different lattice misfits (δ) were calculated by using first-principles discrete variation Xα method. It was foundthat the effects of lattice misfits on the electronic structures of incoherent Ni/Ni3Al interface were very obvious. On one hand,less than -0.6% negative lattice misfit can promote the binding strength of γ/γ′ interface. On the other hand, the totalbonding strength of γ/γ′ interface decreases with increasing δ. Therefore, the magnitude and sign of lattice misfit must becarefully controlled for balancing the high temperature creep strength of Ni-base single crystal superalloy and the structuralstability of γ/γ′interface when one designs a new Ni-base single crystal superalloy. 关 键 词：γ/γ′ interface, LATTICE misfit, DV-Xα method, FIRST-PRINCIPLES CALCULATION