Temperature dependence of creep compliance of highly cross-linked epoxy: A molecular simulation study

Fardin Khabaz, Ketan S. Khare, Rajesh Khare

Research output: Chapter in Book/Report/Conference proceedingConference contribution

4 Scopus citations

Abstract

We have used molecular dynamics (MD) simulations to study the effect of temperature on the creep compliance of neat cross-linked epoxy. Experimental studies of mechanical behavior of cross-linked epoxy in literature commonly report creep compliance values, whereas molecular simulations of these systems have primarily focused on the Young's modulus. In this work, in order to obtain a more direct comparison between experiments and simulations, atomistically detailed models of the cross-linked epoxy are used to study their creep compliance as a function of temperature using MD simulations. The creep tests are performed by applying a constant tensile stress and monitoring the resulting strain in the system. Our results show that simulated values of creep compliance increase with an increase in both time and temperature. We believe that such calculations of the creep compliance, along with the use of time temperature superposition, hold great promise in connecting the molecular insight obtained from molecular simulation at small length- and time-scales with the experimental behavior of such materials. To the best of our knowledge, this work is the first reported effort that investigates the creep compliance behavior of cross-linked epoxy using MD simulations.

Original languageEnglish
Title of host publicationTimes of Polymers (TOP) and Composites 2014 - Proceedings of the 7th International Conference on Times of Polymers (TOP) and Composites
PublisherAmerican Institute of Physics Inc.
Pages262-265
Number of pages4
ISBN (Print)9780735412330
DOIs
StatePublished - 2014
Event7th International Conference on Times of Polymers (TOP) and Composites 2014 - Ischia, Italy
Duration: Jun 22 2014Jun 26 2014

Publication series

NameAIP Conference Proceedings
Volume1599
ISSN (Print)0094-243X
ISSN (Electronic)1551-7616

Conference

Conference7th International Conference on Times of Polymers (TOP) and Composites 2014
CountryItaly
CityIschia
Period06/22/1406/26/14

Keywords

  • Creep compliance
  • Cross-linked epoxy
  • Mechanical properties
  • Molecular simulation

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    Khabaz, F., Khare, K. S., & Khare, R. (2014). Temperature dependence of creep compliance of highly cross-linked epoxy: A molecular simulation study. In Times of Polymers (TOP) and Composites 2014 - Proceedings of the 7th International Conference on Times of Polymers (TOP) and Composites (pp. 262-265). (AIP Conference Proceedings; Vol. 1599). American Institute of Physics Inc.. https://doi.org/10.1063/1.4876828