Sliding energy landscape governs interfacial failure of nanotube-reinforced ceramic nanocomposites

Ning Li; Christopher M. Dmuchowski; Yingchun Jiang; Chenglin Yi; Feilin Gou; Jia Deng; Changhong Ke; Huck Beng Chew

doi:10.1016/j.scriptamat.2021.114413

Sliding energy landscape governs interfacial failure of nanotube-reinforced ceramic nanocomposites

Ning Li, Christopher M. Dmuchowski, Yingchun Jiang, Chenglin Yi, Feilin Gou, Jia Deng, Changhong Ke, Huck Beng Chew

Aerospace Engineering

Research output: Contribution to journal › Article › peer-review

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

Original language	English (US)
Article number	114413
Journal	Scripta Materialia
Volume	210
DOIs	https://doi.org/10.1016/j.scriptamat.2021.114413
State	Published - Mar 15 2022

Keywords

Density functional theory
Interfacial shear
Silica-2D material interfaces
Single-nanotube pullout experiments
Sliding energy landscape

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering
Metals and Alloys

Online availability

10.1016/j.scriptamat.2021.114413

Library availability

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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",

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 = "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.",

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month = mar,

day = "15",

doi = "10.1016/j.scriptamat.2021.114413",

language = "English (US)",

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journal = "Scripta Materialia",

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TY - JOUR

T1 - Sliding energy landscape governs interfacial failure of nanotube-reinforced ceramic nanocomposites

AU - Li, Ning

AU - Dmuchowski, Christopher M.

AU - Jiang, Yingchun

AU - Yi, Chenglin

AU - Gou, Feilin

AU - Deng, Jia

AU - Ke, Changhong

AU - Chew, Huck Beng

N1 - 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.

PY - 2022/3/15

Y1 - 2022/3/15

N2 - 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

AB - 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

KW - Density functional theory

KW - Interfacial shear

KW - Silica-2D material interfaces

KW - Single-nanotube pullout experiments

KW - Sliding energy landscape

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Sliding energy landscape governs interfacial failure of nanotube-reinforced ceramic nanocomposites

Abstract

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