Abstract
In order to theoretically clarify the interfacial properties of the TiC-Ti3SiC2 composites, the work of adhesion, electronic structure and fracture toughness of Ti3SiC2 (001)/TiC (111) interface were calculated by first principles method. By comparing the work of adhesion and the interfacial energy, it is determined that the Ti2(Si)-H-C interface with a smooth transition from TiC (111) to Ti3SiC2 (001) has the highest bonding strength and thermodynamic stability. Further analysis of the electronic structure of the Ti2(Si)-H-C interface revealed that strong Ti-C mixed covalent-ionic bonds would be formed at the interface, and the electronic structure of the Ti atoms at the interface was close to that of the Ti atoms in the TiC (111) side. The first principles computational tensile tests on the Ti2(Si)-H-C interface showed that the Ti2(Si)-H-C interface tends to break at the Ti2-Si bond near the interface on the Ti3SiC2 (001) side.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
