金属陶瓷断裂韧性的价电子结构设计

Design of valence electron structure of feacture toughness of cermets

依据固体分子经验电子理论，运用键距差方法，计算了不同成分金属陶瓷中陶瓷相的价电子结构，讨论了Ｍｏ、Ｗ、Ｎｂ、Ｔａ元素对陶瓷相价电子结构的影响，找出了金属陶瓷的断裂韧性与陶瓷相价电子结构之间的关系，据此推导出金属陶瓷的断裂韧性与其成分之间的关系式。

Based on the empirical electron theory of solids and molecules,the valence electron structures of Ti(C,N) based cermets with different compositions have been calculated by means of bond length difference (BLD) method.The effects of such elements as molybdenum,tungsten,niobium and tantalum on the valence electron structures of ceramics have been discussed.The relationship between the valence electron structures of ceramics and the fracture toughness of cermets has also been proposed,and the relationship between the chemical composition and fracture toughness of cermets has been studied and primary tests also conducted.