MoO2和NiMo化合物性能差异的价电子结构分析

应用经验电子理论中的键距差法计算了激光熔化沉积MoO₂增强 γ /NiMo合金中两种化合物即MoO₂和NiMo的价电子结构,研究了价电子结构与两种化合物的硬度、强度和熔点差异的关系,并用实验测量结果进行了验证.表明价电子结构中的共价电子总数与总价电子数之比可以作为衡量MoO₂和NiMo强度高低的依据;价电子结构中最强键的理论键距可以作为衡量MoO₂和NiMo熔点高低的依据;但价电子结构中最强共价键上的共价电子对数不能单独作为衡量MoO₂和NiMo硬度高低的依据.

Valence electron structure analysis of property differences between MoO2 and NiMo compounds

Valence electron structures of NiMo and MoO₂ compounds in a MoO₂-strengthened γ /NiMo alloy were analyzed by a bond length difference method on the basis of Yu’s Empirical electron theory of solids and molecules. Relationships between hardness, strength and melting point differences of the two compounds and their respective valence electron structure were investigated. The differences were confirmed by measurement results. The ratio of total covalent electron number to valence electron number on all of the bonds in valence electron structures could be used to compare strength of NiMo and MoO₂. Length of the strongest bond in the valence electron structure could be used to measure melting point of NiMo and MoO₂. However, covalent electron pair number of the strongest bond in the valence electron structure could not be viewed as the sole standard for comparing hardness of the two compounds.