Molecular dynamic simulation of the mechanical properties of PI/SIO2 nanocomposite based on materials studio

被引：0

作者：

Mo, Yuzhen ^{[1
]}

Zhang, Hui ^{[1
]}

Xu, Jiachu ^{[1
,2
]}

机构：

[1] Department of Mechanics and Civil Engineering, Jinan University, Guangzhou, China

[2] Key Lab of Disaster Forecast and Control in Engineering, Ministry of Education, Jinan University, Guangzhou, China

来源：

Journal of Chemical and Pharmaceutical Research | 2014年 / 6卷 / 06期

关键词：

Silica nanoparticles - Dynamics - Molecular dynamics - Elastic moduli - Polyimides - Biomechanics - Stiffness matrix;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

The initial unit cell models of PI/SiO2Nanocomposite and pure polyimide were built by Materials Studio, the stiffness matrix and mechanical parameters such as Young modulus, shear modulus, bulk modulus and Poisson ratio of the unit cells were achieved after molecular dynamic (MD) optimizations and calculations. Finally, the mechanical properties of pure polyimide and the PI/SiO2 nanocomposite with 5vol.% and 10vol.% nanosilica were compared. The result shows that the mechanical properties of polyimide can be remarkably reinforced by being filled with a low volume faction of silica-nanoparticle. © 2014, Journal of Chemical and Pharmaceutical Research. All rights reserved.

引用

页码：1534 / 1539