Ti(C,N)固溶体的价电子结构及其与硬度和塑性间的关系

On the Valence Electron Structure of Ti(C,N) Solid Solution and Its Relationship with Hardness and Plasticity

根据固体与分子经验电子理论 ,通过键距差 (BL D)方法 ,计算了 Ti(C0 .7,N0 .3)的价电子结构 ,讨论了其价电子结构与硬度和塑性间的关系。指出 Ti(C,N)固溶体的硬度较 Ti C,(Ti,W) C低 ,较 Ti N高 ,其塑性较 Ti C,(Ti,W) C高 ,较 Ti N低。并指出材料晶体结构相同时 ,其价电子结构的最强键 nA可作为硬度高低的比较指标 ,其 ∑na 可用来比较塑性的相对高低。

According to the empirical electron theory of solid and molecule, the valence electron structure of Ti(C 0.7 N 0.3 ) solid solution was calculated by the BLD method. In addition, the relationship among its valence electron structure, hardness and strength was discussed. It is pointed out that the strongest bond n A can be used as a reference to estimate the hardness and ∑ n a to compare the plasticity.