Enhanced tribological properties of polymer composites by incorporation of nano-SiO2 particles: A molecular dynamics simulation study

被引：53

作者：

He, Enqiu ^{[1
]}

Wang, Shijie ^{[1
]}

Li, Yunlong ^{[1
,2
]}

Wang, Quan ^{[2
]}

机构：

[1] Shenyang Univ Technol, Sch Mech Engn, Shenliao West Rd 111, Shenyang 110870, Peoples R China

[2] City Univ Hong Kong, Dept Architecture & Civil Engn, Kowloon, Hong Kong, Peoples R China

来源：

COMPUTATIONAL MATERIALS SCIENCE | 2017年 / 134卷

关键词：

Polymer composites; Molecular dynamics simulation; Tribological property; Nano particle; GRAPHENE; NANOCOMPOSITES;

D O I：

10.1016/j.commatsci.2017.03.043

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A molecular model of polymer composites enhanced by nano-SiO2 particles is developed. The elastic properties of the nano-SiO2 particle/polymer composites are measured by applying strain constant method. The enhanced tribological properties of the polymer/nano-SiO2 composites are studied through applying a top iron layer sliding on the surface of the polymer composites using molecular dynamics simulations. The results show that an increase of about 190% in the Young's modulus is achieved by introduction of nano-SiO2 particle. Decreases of about 27% and 47.4% in the average friction coefficient and abrasion rate of the polymer/nano-SiO2 composites are obtained. In order to explore the mechanisms of the enhanced tribological properties, the interfacial interactions between polymer materials and nano-SiO2 particles, radius distribution function values between top iron layer and polymer materials and atoms concentrations of polymer composites are calculated and discussed. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：93 / 99

页数：7

共 18 条

[1] MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].