文章基本信息

标题：Molecular dynamics studies on the overall compressive modulus of nylon 6/montmorillonite nanocomposites
本地全文：下载
作者：Wen Xu ; Xiaolei Wu ; Weifu Sun 等
期刊名称：Advances in Mechanical Engineering
印刷版ISSN：1687-8140
电子版ISSN：1687-8140
出版年度：2016
卷号：8
期号：11
DOI：10.1177/1687814016677659
语种：English
出版社：Sage Publications Ltd.
摘要：Molecular dynamics simulations together with micromechanics method have been proven an effective approach to assess the elastic moduli of either partially or fully exfoliated (i.e. single-layer) effective clay (montmorillonite) cluster. In this work, similar approach was adopted to estimate the overall compressive modulus of nylon 6/montmorillonite nanocomposites. In detail, the compressive modulus of single-layer effective clay cluster along either lateral or longitudinal directions was first determined by performing molecular dynamics simulations, and then, the compressive modulus of partially exfoliated two-layer or three-layer effective clay clusters along the longitudinal direction was measured in a similar way. Finally, the overall compressive moduli of clay-incorporated polymer nanocomposites with either randomly dispersed or well-aligned effective clay clusters at different volume fractions of clay were evaluated according to the individual compressive modulus using the well-established rule of mixture.
关键词：Clay; montmorillonite; nanocomposites; molecular dynamics; compressive modulus