Altered phase model for polymer clay nanocomposites

Langmuir : the ACS Journal of Surfaces and Colloids
Debashis SikdarBedabibhas Mohanty

Abstract

This paper describes a multiscale approach used to model polymer clay nanocomposites (PCNs) based on a new altered phase concept. Constant-force steered molecular dynamics (SMD) is used to evaluate nanomechanical properties of the constituents of intercalated clay units in PCNs, which were used in the finite element model. Atomic force microscopy and nanoindentation techniques provided additional input to the finite element method (FEM) model. FEM is used to construct a representative PCN model that simulates the composite response of intercalated clay units and the surrounding polymer matrix. From our simulations we conclude that, in order to accurately predict mechanical response of PCNs, it is necessary to take into account the molecular-level interactions between constituents of PCN, which are responsible for the enhanced nanomechanical properties of PCNs. This conclusion is supported by our previous finding that there is a change in crystallinity of polymeric phase due to the influence of intercalated clay units. The extent of altered polymeric phase is obtained from observations of a zone of the altered polymeric phase surrounding intercalated clay units in the "phase image" of PCN surface, obtained using an atomic force ...Continue Reading

References

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Aug 23, 2006·Langmuir : the ACS Journal of Surfaces and Colloids·Debashis SikdarKalpana S Katti

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Citations

Apr 13, 2011·Physical Chemistry Chemical Physics : PCCP·Murat CetinkayaFrauke Gräter
Mar 24, 2010·Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences·Kalpana S KattiDinesh R Katti
Dec 11, 2014·Materials Science & Engineering. C, Materials for Biological Applications·Dinesh R KattiKalpana S Katti
Feb 16, 2013·Journal of Biomedical Materials Research. Part a·Avinash H AmbreKalpana S Katti
Oct 22, 2014·Journal of Biomedical Materials Research. Part a·Avinash H AmbreKalpana S Katti
Nov 23, 2018·Journal of Tissue Engineering and Regenerative Medicine·Sumanta KarKalpana S Katti
Oct 8, 2018·Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy·Sumanta KarKalpana S Katti
Mar 16, 2021·Current Opinion in Biomedical Engineering·Kalpana S KattiDinesh R Katti
Jul 8, 2020·Colloids and Surfaces. B, Biointerfaces·Sumanta KarKalpana S Katti
Sep 18, 2020·Langmuir : the ACS Journal of Surfaces and Colloids·Keshab B ThapaDinesh Ramanath Katti
Jul 6, 2017··Kalpana S. KattiDinesh R. Katti

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