摘要
根据合金组元原子半径不同引起的弹性畸变,运用Miedema理论系统地研究了碱金属元素为基元的二元合金金属间化合物和无序合金形成焓。计算结果表明,得到的形成焓同已有的由第一原理赝势处理方法得到的结果符合得很好。
Abstract: Miedema theory is employed to study the formation enthalpies of intermetallic compounds and disordered alloys for alkaline metal alloys systematically. The elastical relaxatinn energy caused by the difference of atomic radium among the constituents of alloys is also taken into account. The calculated results agrees with those of the first principle pseudopotential method.
出处
《稀有金属材料与工程》
SCIE
EI
CAS
CSCD
1995年第4期14-18,共5页
Rare Metal Materials and Engineering