Molecular Dynamics Simulations of Thermal Properties of Polymer Composites Enhanced by Cross-Linked Graphene Sheets

被引：11
|
作者：
Li, Yunlong [1 ,2 ]
Wang, Shijie [1 ]
Wang, Quan [2 ]
机构：
[1] Shenyang Univ Technol, Sch Mech Engn, Shenliao West Rd 111, Shenyang 110870, Liaoning, Peoples R China
[2] Southern Univ Sci & Technol, Dept Mech & Aerosp Engn, Shenzhen 518055, Peoples R China
来源：
ACTA MECHANICA SOLIDA SINICA | 2018年 / 31卷 / 06期
关键词：
Molecular dynamics simulation; Polymer composites; Graphene sheet; Glass transition temperature; GLASS-TRANSITION TEMPERATURE; MECHANICAL-PROPERTIES; LINKING;
D O I：
10.1007/s10338-018-0033-7
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
Molecular models of pristine, functionalized and cross-linked graphene sheet/polymer composites are developed. Temperature cooling processes are conducted to examine the improvement of glass transition temperature of cross-linked graphene sheet/polymer composites using molecular dynamics simulations. The results show that increases of about 12.2% and 8.9% in the glass transition temperature of cross-linked graphene sheet/polymer composites are obtained, respectively, than those of the pristine and functionalized graphene sheet/polymer composites. In order to reveal the enhanced thermal properties from atomic views, the interfacial interaction energy and radius distribution function between the graphene sheets and the polymer matrix, the mean square displacement variations and the free volume of polymer composites are examined and discussed.
引用
收藏
页码：673 / 682
页数：10
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