Sliding energy landscape governs interfacial failure of nanotube-reinforced ceramic nanocomposites
Sliding energy landscape governs interfacial failure of nanotube-reinforced ceramic nanocomposites
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DOI：
10.1016/j.scriptamat.2021.114413
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发表时间：
2022
影响因子：
6
通讯作者：
Ning Li;Christopher M. Dmuchowski;Ying Jiang;Chenglin Yi;Feilin Gou;J. Deng;C. Ke;H. Chew
中科院分区：
文献类型：
--
作者：
Ning Li;Christopher M. Dmuchowski;Ying Jiang;Chenglin Yi;Feilin Gou;J. Deng;C. Ke;H. Chew
我们使用单纳米管拔出力测量和密度泛函理论（DFT）势能景观计算报告了六方氮化硼（hBN）和石墨烯在二氧化硅上的滑动粘附。与石墨烯在二氧化硅上的各向同性滑动相反，hBN在二氧化硅上的滑动表现出强烈的方向依赖性，具有通过在N原子上堆叠未封端的Si或O原子形成的异常高的能量势垒。在具有hBN的二氧化硅与石墨烯的可能的终止结构之间的更强的界面粘附能和剪切强度累积在对于相应的纳米管增强复合材料的1034.7MPa与1019.2MPa的测得的界面剪切强度中
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