Sliding energy landscape governs interfacial failure of nanotube-reinforced ceramic nanocomposites. (15th March 2022)

• Record Type: Journal Article
• Authors: Li, Ning; Dmuchowski, Christopher M; Jiang, Yingchun; Yi, Chenglin; Gou, Feilin; Deng, Jia; Ke, Changhong; Chew, Huck Beng
• Is Part Of: Scripta materialia. Number 210(2022)
• Publication Date: 2022-03-15
• Subjects: Silica-2D material interfaces -- Interfacial shear -- Sliding energy landscape -- Single-nanotube pullout experiments -- Density functional theory; Materials -- Periodicals; Metallurgy -- Periodicals; Metalen; Legeringen; Materiaalkunde; Metals, metalworking and machinery industries; Metals; Electronic journals; 620.11
• DOI: 10.1016/j.scriptamat.2021.114413
• Languages: English
• ISSNs: 1359-6462

Abstract

Abstract: We report the sliding adhesion of hexagonal boron nitride (hBN) and graphene on silica using single nanotube pullout force measurements and potential energy landscape calculations by density functional theory (DFT). In contrast to isotropic sliding of graphene on silica, the sliding of hBN on silica exhibits strong directional dependence with unusually high energy barriers formed by stacking of unterminated Si or O atoms on N atoms. Stronger interfacial adhesion energy and shear strength across possible termination structures of silica with hBN versus graphene cumulate in the measured interfacial shear strength of ∼34.7 MPa versus ∼19.2 MPa for the respective nanotube-reinforced composites Graphical abstract: Image, graphical abstract