The relations among composition, structure, chemical bond and property of composites of TiC/Al2O3 ceramic and doped series are studied by using density function and discrete variation method (DFT-DVM).

• 用离散变分密度泛函方法研究了TiC/ Al2O3与掺杂系列复合陶瓷材料,讨论了材料组成、结构、化学键与性能等之间的关系。