摘要
为了研究镍基合金的强化机理,给合金设计提供理论基础.在紧束缚框架下应用Recursion方法,计算了镍基合金Ni-X(X=Ti、Al、Nb、Ta)的电子结构,给出了合金原子局域态密度及它们之间的相互作用能.研究结果表明,合金原子Ti、Al、Nb、Ta的相互作用能均为正值,具有强烈的有序化倾向.有序化形成第二相粒子后阻碍位错运动,提高合金强度.
The article researches Ni-base superalloy strengthening mechanism, in order to provide theoretical foundation for alloy design. The electronic structure of Ni-base superalloy Ni-X（X = Ti,Al, Nb,Ta）was investigated by the recursion method in the tight-binding approximation. The local density of states of alloy elements and interaction energy were presented. The results demonstrate that alloy elements have strong ordering tendency. It leads to form the second phase particle, which hinder dislocation motion and improve alloy intensity.
出处
《沈阳师范大学学报（自然科学版）》
CAS
2006年第1期31-33,共3页
Journal of Shenyang Normal University:Natural Science Edition
基金
国家自然科学基金资助项目(50571071)
辽宁省教育厅科学研究基金资助项目(2004C008)
关键词
电子结构
态密度
相互作用能
electronic structure
density of states
interaction energy
