Nb-doped TiC ceramic,or (NbyTi1-y) Cx,in which amount of Nb element added is increased from zero to 40Wt. %, synthisized -with self-propagating high temperature synthesis,is studied with SCF-Xa-DV,a quantum chemistry ...Nb-doped TiC ceramic,or (NbyTi1-y) Cx,in which amount of Nb element added is increased from zero to 40Wt. %, synthisized -with self-propagating high temperature synthesis,is studied with SCF-Xa-DV,a quantum chemistry cal-culating method. The chemical bonding is studied to discuss the relation between structrues and properties. Several classes of models in which there is no vacancy,one vacancy or two vacan-cies have been calculated. From the calculated results of bond or-der, a measure of covalent bond strength,and molecule orbital contour map, it is concluded that when Nb element added in-creases, the vacancies increase correspondingly,the covalent com-ponent of chemical bonds of the samples decreases -while the met-al-bonding component increases, so the hardness and resistance of the samples decrease.展开更多
对《Six Ideas That Shaped Physics》(6卷本)这套优秀著作进行了深入的解读,从创作思想、课程体系安排和独到的特点3个方面,深入剖析了其为什么能够引领世界物理导论教学前沿的原因.该套丛书的六大思想对我国未来的物理教材建设和物理...对《Six Ideas That Shaped Physics》(6卷本)这套优秀著作进行了深入的解读,从创作思想、课程体系安排和独到的特点3个方面,深入剖析了其为什么能够引领世界物理导论教学前沿的原因.该套丛书的六大思想对我国未来的物理教材建设和物理课堂教学改革具有重要的借鉴意义.展开更多
文摘Nb-doped TiC ceramic,or (NbyTi1-y) Cx,in which amount of Nb element added is increased from zero to 40Wt. %, synthisized -with self-propagating high temperature synthesis,is studied with SCF-Xa-DV,a quantum chemistry cal-culating method. The chemical bonding is studied to discuss the relation between structrues and properties. Several classes of models in which there is no vacancy,one vacancy or two vacan-cies have been calculated. From the calculated results of bond or-der, a measure of covalent bond strength,and molecule orbital contour map, it is concluded that when Nb element added in-creases, the vacancies increase correspondingly,the covalent com-ponent of chemical bonds of the samples decreases -while the met-al-bonding component increases, so the hardness and resistance of the samples decrease.
