Multiscale mechanics of noncovalent interface in graphene oxide layered nanocomposites  

作　　者：ZeZhou He YinBo Zhu HengAn Wu 

机构地区：[1]CAS Key Laboratory of Mechanical Behavior and Design of Materials,Department of Modern Mechanics,CAS Center for Excellence in Complex System Mechanics,University of Science and Technology of China,Hefei 230027,China

出　　处：《Theoretical & Applied Mechanics Letters》2022年第1期3-9,共7页力学快报（英文版）

基　　金：jointly supported by the National Natural Science Foundation of China(Nos.11872063 and 12172346);the University of Science and Technology of China(USTC)Research Funds of the Double First-Class Initiative(No.YD2480002002);China Postdoctoral Science Foundation(No.2021TQ0323)。

摘　　要：Noncovalent interfaces play a vital role in inelastic deformation and toughening mechanisms in layered nanocomposites due to their dynamical recoverability. When interfacial engineering is applied to design layered nanocomposites, shear-lag analysis is usually implemented to evaluate the capability of interfacial loading transfer. Here, we introduce a multiscale shear-lag model that correlates macroscale mechanical properties with the molecular mechanisms to quantify the effects of interfacial configuration in graphene oxide(GO) layered nanocomposites. By investigating the mechanical responses of commensurate and incommensurate interfaces, we identify that the commensurate interface exhibits a pronounced size effect due to the nucleation and propagation of interfacial defects, whereas the incommensurate interface displays uniform deformation. Our predictions are further validated through large-scale molecular dynamics simulations for GO layered nanocomposites. This work demonstrates how size effects and interfacial configurations can be exploited to fabricate layered nanocomposites with superior mechanical properties despite relying on weak noncovalent interfaces.

关 键 词：Multiscale mechanics Noncovalent interface Commensurate and incommensurate Shear-lag model Layered nanocomposites 

分 类 号：TB332[一般工业技术—材料科学与工程] TQ127.11[化学工程—无机化工]