【摘要】 通过经验电子理论(EET理论)计算了多元陶瓷相价电子结构,运用多元线性回归建立了成分与价电子结构的关系;并且将价电子结构与座滴法实验测得的接触角进行了回归分析。结果表明,不同碳化物的添加均能导致最强键上共价电子数nA的增加,其中添加VC的影响最为显著,依次为VC>Mo2C>NbC>WC>TaC。研究还发现,碳化物的添加使体系接触角持续下降,同时接触角随键能的增加持续下降。更多还原

【Abstract】 The valence electron structure of ceramic multiphase in Ti（C,N） based cermets were calculated by using the Empirical Electron Theory of Solids and Molecules and the relationship between chemical compositions and valence electron structure was established. Besides, regression analysis based on the wetting experimental results and the above calculation was conducted. Results show that the most strongest bond in ceramic phases （n_A） increase with additions of carbides, and the influencing order was VC>Mo₂C>NbC>WC>TaC, i.e., the impact of VC is the greatest. Results also reveal that the contact angle （θ） declines continuously with the increase of addition of carbides,and simultaneously the contact angle declines continuously with the increase of the bond energy of ceramic phases.更多还原