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Research on properties of DO\(_{3}\)- and B2-type ordered alloys and disordered alloys in Nb-Mo alloy system in BCC structure. (English) Zbl 1239.82044

Summary: Based on the idea of systematic science of alloys, we derived the interaction equations of binary alloys in BCC structure in this paper. According to the basic information of characteristic atoms sequences and characteristic crystals sequences of Nb-Mo alloy system and the concentrations of characteristic atoms of Nb-Mo alloy system, the properties of DO\(_{3}\)-Nb\(_{3}\)Mo type ordered alloys, B2-NbMo type ordered alloys and DO\(_{3}\)-NbMo\(_{3}\) type ordered alloys and disordered alloys were calculated. The results show that the properties of ordered alloys exhibit stronger variations than those of disordered Nb\(_{(1 - x)}\)Mo\(_{x }\) alloys when approaching the stoichiometric ratio, whereas the opposite trend occurs when deviating from the stoichiometric ratio. The main reason is that the ordering degree is maximal at the stoichiometric ratio while it decreases linearly when deviating from stoichiometric ratio. On the contrary, the number of bonding electrons among atoms increases with the simultaneous decreasing of the nearly free electrons, which shortens the bond lengths and thus strengthens the crystal bonding.

MSC:

82D30 Statistical mechanics of random media, disordered materials (including liquid crystals and spin glasses)
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