B添加对MoSi2 基化合物抗氧化性能影响的第一性原理研究
陈郑, 宇文佩, 温思涵, 李美凤, 沙江波, 周春根

First Principles Study on Effect of B Addition on Oxidation Resistance of MoSi2-based Compound
CHEN Zheng, YUWEN Pei, WEN Sihan, LI Meifeng, SHA Jiangbo, ZHOU Chungen
表3 不同B含量的硼硅酸盐的形成焓Hformation和内聚能Ecohesive
Table 3 Formation enthalpies and cohesive energies of various borosilicates containing different contents of B
ModelsEcohesive / eVHformation / eV
Amorphous SiO2 (0%B)-6.339-2.436
2%B-content in borosilicate-6.445-2.454
4%B-content in borosilicate-6.512-2.471
6%B-content in borosilicate-6.788-2.553
8%B-content in borosilicate-6.366-2.281
10%B-content in borosilicate-6.241-2.214