TiB2与ZrB2在热压过程中发生反应生成富Ti的(Ti0.8Zr0.2)B2与富Zr的(Zr0.8Ti0.2)B2两种置换型固溶体。为了预测这两种固溶体的性能,根据固体与分子经验电子理论(EET),对两种固溶体相进行了价电子结构分析;并与TiB2、ZrB2基体的价电子结构进行比较。结果表明,TiB2溶入ZrB2基体后,引起Zr杂阶从甲种16阶下降到14阶,最强键上共价电子数、共价键电子数百分比、最强键键能下降,表明TiB2溶入导致ZrBz基体的硬度、强度、结合能与熔点下降,韧性增加。而ZrB2溶入TiB2基体后,引起Ti的杂阶从甲种13阶上升到15阶,ZrB2溶入的改变作用与TiB2溶入后的改变作用相反。两种固溶体与两种基体相的价电子结构中各项参数都非常接近,表明TiB2与ZrB2两者在烧结过程中很容易发生固溶反应;也说明TiB2与ZrB2互相溶入后对基体性能改变幅度较小。
The two kind of Ti-rich (Ti0.8Zr0.2)B2 and Zr-rich (Zr0.8Ti0.2)B2 permutation solid-solutions were formed by hot pressing. To forecast the properties of the two solid-solutions, their valence electron structure was analyzed on the base of the empirical electron theory (EET) of solids and molecules, and compared with that of the TiB2 or ZrB2 matrix. The results showed that, after the TiB2-dissolved into the ZrB2 matrix, the step number of Zr decreased from A16 to A14, the parameters of the valence electron structure decreased, which indicated that the TiB2 dissolution resulted in the decrease of hardness, strength and melting point and in the rise of the toughness of the ZrB2 matrix. While after ZrB2 dissolved into the TiB2 matrix, the step number of Ti increased form A13 to A15. So it is concluded the effect of the ZrB2 dissolution was opposite to that of the TiB2 dissolution. Because the parameters of the four phases were almost isometric, the interface solid-solution reaction of the TiB2 and ZrB2 took place easily and the TiB2 and ZrB2 dissolving mutually has changed the properties of the matrixes slightly when hot pressed.