Young's modulus of effective clay clusters in polymer nanocomposites

被引：30

作者：

Xu, Wen ^{[1
]}

Zeng, Qinghua ^{[1
,2
]}

Yu, Aibing ^{[1
]}

机构：

[1] Univ New S Wales, Sch Mat Sci & Engn, Sydney, NSW 2052, Australia

[2] Sch Comp Engn & Math, Penrith, NSW 2751, Australia

来源：

POLYMER | 2012年 / 53卷 / 17期

关键词：

Exfoliated nanocomposites; Molecular dynamics simulation; Young's modulus; MOLECULAR-DYNAMICS SIMULATIONS; SILICATE-REINFORCED NANOCOMPOSITES; ELASTIC PROPERTIES; TENSILE MODULUS; MATRIX; MONTMORILLONITE; INTERPHASE; PREDICTION; INTERFACE; THICKNESS;

D O I：

10.1016/j.polymer.2012.06.039

中图分类号：

O63 [高分子化学（高聚物）];

学科分类号：

070305 ; 080501 ; 081704 ;

摘要：

In polymer nanocomposites, the interfacial region plays a key role in the reinforcement of materials properties. Traditional two-phase micromechanical models usually ignore the contribution of such interfacial region to the overall materials properties. In this study, we use molecular dynamics simulation to determine the effective size and the Young's modulus of effective clay clusters which are regarded as basic building blocks in clay-based polymer nanocomposites. Two types of clay clusters are considered: one is fully exfoliated clay and another is partially exfoliated clay. The calculated Young's modulus of effective clay clusters can be used to predict the overall mechanical properties of clay-based polymer nanocomposites. (C) 2012 Elsevier Ltd. All rights reserved.

引用

页码：3735 / 3740

页数：6

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