Adhesion strength and stability of TiB₂/TiC interface in composite coatings by first principles calculation

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• 作者：Hui-hui Xiong^a ; ^b ; ^{xionghui8888@126.com} ; Hui-ning Zhang^a ; Jian-hong Dong^a
• 关键词：First-principles calculation ; TiC/TiB2 interface ; Composite coating ; Adhesion strength ; Interfacial energy
• 刊名：Computational Materials Science
• 出版年：2017
• 出版时间：1 February 2017
• 年：2017
• 卷：127
• 期：Complete
• 页码：244-250
• 全文大小：2023 K
• 卷排序：127

文摘

Properties of TiC (1 1 1)/TiB2 (0 0 0 1) interfaces were investigated by first-principles. The Wad of HS interfaces is larger than that of the CS and TS interfaces. The C-HS-T interface exhibits the largest adhesive strength and stability. The C-HS-T interface consists of polar covalent bonding and metallic bonding.