3D molecular dynamics/finite element simulation of carbon nanotubes-reinforced polymer composites

被引：0

作者：

Horta, Jaime ^{[1
]}

Brostow, Witold ^{[2
]}

Simoes, Ricardo ^{[3
]}

Castaño, Victor M. ^{[4
]}

机构：

[1] Facultad de Ingenieria, Universidad Autonoma de Querétaro, Queretaro

[2] Laboratory of Advanced Polymers and Optimized Materials, University of North Texas, Denton, 76207, TX

[3] University of Minho, Porto

[4] Centro de Fisica Aplicada y Tecnologia Avanzada, Universidad Nacional Autonoma de Mexico, Juriquilla, Queretaro

来源：

Journal of Computational and Theoretical Nanoscience | 2015年 / 12卷 / 10期

关键词：

Bond Stiffness; Carbon Nanotube; Computer Modeling; Nanotechnology; Non Lineal Analysis;

D O I：

10.1166/jctn.2015.4126

中图分类号：

学科分类号：

摘要：

A simulation of the mechanical behavior of a carnon nanotubes-reinforced polymeric composite, based on Flory's statistical segment approach, is presented. The material is modeled at the micro and nano levels. Interactions between molecules are Morse-like potentials, as well as Van der Walls forces. Traditional simulations involve Molecular Dynamics by solving Newton's equations of motion, Instead, we apply here a finite element approach, involving nonlinear elements to take into account the potential interactions. Amorphous polymer chains are represented by statistical segments, in which several repeating units of a chain are treated as single and independent components. This model allows the simulation at a large scale as compared to those using the unit-atom model or those performed at the atomistic level. Copyright © 2015 American Scientific Publishers.

引用

页码：3363 / 3369

页数：6

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