@article{25d2bad73a9f47a58f0029afcc32e633,
title = "Sliding energy landscape governs interfacial failure of nanotube-reinforced ceramic nanocomposites",
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",
keywords = "Density functional theory, Interfacial shear, Silica-2D material interfaces, Single-nanotube pullout experiments, Sliding energy landscape",
author = "Ning Li and Dmuchowski, {Christopher M.} and Yingchun Jiang and Chenglin Yi and Feilin Gou and Jia Deng and Changhong Ke and Chew, {Huck Beng}",
note = "Funding Information: The authors acknowledge the support of the National Science Foundation under Grant Nos. NSF-CMMI 2009684, 2009134, and 2006127, as well as computational time provided by the Blue Waters sustained-petascale computing project, which is supported by the National Science Foundation (Awards No. OCI-0725070 and No. ACI-1238993) and the state of Illinois. Blue Waters is a joint effort of the University of Illinois at Urbana-Champaign and its National Center for Supercomputing Applications. C.M.D acknowledges fellowship support from the New York NASA Space Grant Consortium. Funding Information: The authors acknowledge the support of the National Science Foundation under Grant Nos. NSF-CMMI 2009684, 2009134, and 2006127, as well as computational time provided by the Blue Waters sustained-petascale computing project, which is supported by the National Science Foundation (Awards No. OCI-0725070 and No. ACI-1238993) and the state of Illinois. Blue Waters is a joint effort of the University of Illinois at Urbana-Champaign and its National Center for Supercomputing Applications. C.M.D acknowledges fellowship support from the New York NASA Space Grant Consortium. Publisher Copyright: {\textcopyright} 2021",
year = "2022",
month = mar,
day = "15",
doi = "10.1016/j.scriptamat.2021.114413",
language = "English (US)",
volume = "210",
journal = "Scripta Materialia",
issn = "1359-6462",
publisher = "Elsevier Limited",
}