Wetting and interfacial behavior of Al–Ti/4H–SiC system:A combined study of experiment and DFT simulation. Issue 23 (1st December 2021)

• Record Type: Journal Article
• Authors: Xu, Puhao; Gui, Xinyi; Zhang, Xiangzhao; Zhang, Mingfen; Liu, Guiwu; Guo, Qinhan; Qiao, Guanjun
• Is Part Of: Ceramics international. Volume 47:Issue 23(2021)
• Page Start: 32545
• Page End: 32553
• Publication Date: 2021-12-01
• Subjects: Wettability -- SiC -- Interfaces -- First-principles calculation; Ceramics -- Periodicals; Céramique industrielle -- Périodiques; Ceramics; Periodicals; Electronic journals; 666
• DOI: 10.1016/j.ceramint.2021.08.149
• Languages: English
• ISSNs: 0272-8842

Abstract

Abstract: Wetting and interfacial behavior of molten Al-(10, 20, 30, 40) at.%Ti alloys on C-terminated 4H–SiC at 1500 and 1550 °C were investigated experimentally, and theoretical bonding strength, structure stability and electronic structure of interfacial reaction products/C-terminated 4H–SiC interfaces were evaluated by first-principle calculations. The wetting experiments show that the Al–Ti/SiC systems present excellent wettability with contact angle of less than 15° except the Al–40Ti/SiC system performed at 1500 °C × 30 min. The SEM-EDS and TEM analyses demonstrate that the reaction products are mainly composed of Al4 C3, TiC, Ti3 SiC2, Ti5 Si3 CX and τ phase, and their formation and evolution can be mainly affected by the Ti concentration in the Al–Ti alloys and wetting temperature. Moreover, the calculated results show that the SiC/C-terminated TiC interface presents the highest work of separation and its electronic property reveals that the localization of electrons and formation of covalent bond between interfacial C atoms lead to the excellent bonding strength of SiC/TiC interface.