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

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.
Authors:
; ;  [1]
  1. Department of Chemical Engineering, Texas Tech University, Lubbock, TX 79409 (United States)
Publication Date:
OSTI Identifier:
22280344
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1599; Journal Issue: 1; Conference: 7. international conference on times of polymers (TOP) and composites, Ischia (Italy), 22-26 Jun 2014; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE; COMPARATIVE EVALUATIONS; COMPUTERIZED SIMULATION; CREEP; EPOXIDES; MOLECULAR DYNAMICS METHOD; STRAINS; STRESSES; TEMPERATURE DEPENDENCE