Composition-dependent structural characteristics and mechanical properties of amorphous SiBCN ceramics by ab-initio calculations

• Main Authors: Liu, Yuchen, Zhou, Yu, Jia, Dechang, Yang, Zhihua, Duan, Wenjiu, Li, Daxin, Li, Shuzhou, Riedele, Ralf, Liu, Bin
• Other Authors: School of Materials Science and Engineering
• Format: Article
• Language: English
• Published: 2023
• Subjects: Engineering::Materials; Ultra-High-Temperature Ceramics; Density Functional Theory
• Online Access: https://hdl.handle.net/10356/169730
• Institution: Nanyang Technological University

The atomic structural features and the mechanical properties of amorphous silicoboron carbonitride ceramics with 13 different compositions in the Si–BN–C phase diagram are investigated employing ab-initio calculations. Both chemical bonds and local structures within the amorphous network relate to t...