Xu, W;
Wu, X;
Sun, W;
(2016)
Molecular dynamics studies on the overall compressive modulus of nylon 6/montmorillonite nanocomposites.
Advances in Mechanical Engineering
, 8
(11)
10.1177/1687814016677659.
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Abstract
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.
| Type: | Article |
|---|---|
| Title: | Molecular dynamics studies on the overall compressive modulus of nylon 6/montmorillonite nanocomposites |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1177/1687814016677659 |
| Publisher version: | http://dx.doi.org/10.1177/1687814016677659 |
| Language: | English |
| Additional information: | This article is distributed under the terms of the Creative Commons Attribution 3.0 License (http://www.creativecommons.org/licenses/by/3.0/) which permits any use, reproduction and distribution of the work without further permission provided the original work is attributed as specified on the SAGE and Open Access pages (https://us.sagepub.com/en-us/nam/ open-access-at-sage). |
| Keywords: | Science & Technology, Physical Sciences, Technology, Thermodynamics, Engineering, Mechanical, Engineering, Clay, montmorillonite, nanocomposites, molecular dynamics, compressive modulus, POLYMER-CLAY NANOCOMPOSITES, MECHANICAL-PROPERTIES, THERMAL-STABILITY, EPOXY COMPOSITES, TENSILE MODULUS, GAS PERMEATION, MICROMECHANICS, NANOSPHERES, PREDICTION, PARAMETERS |
| UCL classification: | UCL UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences |
| URI: | https://discovery.ucl.ac.uk/id/eprint/10025012 |
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