Atomistic Insights into the Tunable Transition from Cavitation to Crazing in Diamond Nanothread-Reinforced Polymer Composites  

作　　者：Lu-Wen Zhang Wei-Ming Ji Yue Hu Kim Meow Liew 

机构地区：[1]Department of Engineering Mechanics,School of Naval Architecture,Ocean and Civil Engineering,Shanghai 2002240,Shanghai Jiao Tong University,China [2]Department of Architecture and Civil Engineering,City University of Hong Kong,Kowloon,Hong Kong SAR,China

出　　处：《Research》2020年第1期1372-1383,共12页研究（英文）

基　　金：The authors acknowledge the supports provided by the National Natural Science Foundation of China(Grant No.11872245);the Natural Science Foundation of Shanghai(Grant No.19ZR1474400).

摘　　要：Cavitation and crazing in thermosetting polymers can be sophisticatedly designed for valuable applications in optics,electronics,and biotechnology.It is a great challenge for numerical study to describe the formations of cavity and fibrils in polymer composite due to the complicated interfacial interaction.To explore this challenging task,we exploit a two-phase coarse-grained framework which serves as an efficient atomistic level-consistent approach to expose and predict the transition between cavitation and crazing in a polymeric system.The coarse-grained framework is utilized to transmit the information between single phase and interface in polymer composite,and the learning tasks of force field are fulfilled through parameterization of mechanical performances and structural characterizations.We elaborate on the intrinsic characteristics of the cavitation-crazing transition in diamond nanothread-(DNT-)reinforced polymethyl methacrylate composites,in which DNT plays a specific role of nanomodulator to tune the cavity volume ratio.The transition from cavitation to crazing can be induced through a novel dissipative mechanism of opening an interlocked network,in which case the DNT is stretched to the aligned fibrils and links crazing tightly by interfacial adhesion.The designed computational framework can broaden the scope of theoretical tools for providing better insights into the microstructure design of polymer composites.

关 键 词：composite composites CAVITATION 

分 类 号：TB33[一般工业技术—材料科学与工程]