根据系统合金科学的思想,结合实验晶格常数和生成热,综合考虑合金能量、体积、原子状态之间的相互关系,确定BCC结构Nb-Mo合金系的相互作用方程为第9方程;同时,确定Nb-Mo合金系中Nb和Mo特征原子序列和特征晶体序列的基本信息;根据无序合金的特征原子浓度计算了无序Nb(1-x)Mox合金的电子结构和物理性质,其物理性质的变化趋势与电子结构的变化极其一致.
Comprehensively considering energy,volume and electronic structure of alloys,the ninth equation was determined as the interaction function of Nb-Mo alloys system in BCC structure on the basis of idea of systematic science of alloys,experimental lattice constants and heats of formation of disordered Nb(1-x)Mox alloys.The structural parameters and properties of Nb and Mo characteristic atoms sequences and corresponding characteristic crystals sequences were determined in Nb-Mo alloys system.The electronic structure and physical properties of disordered Nb(1-x)Mox alloys system were calculated according to concentration of characteristic atoms of disordered alloys.The change trend of physical properties is the same as that of electronic structure.
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