Temperature-dependent mechanical response of carbon nanotube reinforced epoxy nanocomposites: An atomistic simulation study

Jacob Schichtel, Bonsung Koo, Aditi Chattopadhyay

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

1 Scopus citations


A preliminary analysis of the temperature-dependent elastic and plastic response of carbon nanotube (CNT) reinforced nanocomposites using an atomistically informed approach is presented. By utilizing molecular dynamics (MD) simulations, the effects of temperature on mechanical properties have been investigated for epoxy-based polymer composites reinforced by randomly dispersed CNTs. A molecular model has been developed for the bulk matrix of the randomly dispersed CNT architecture, and virtual deformation tests have been performed to estimate mechanical properties under a wide range of temperatures. The results indicate that the strength and stiffness of these nanocomposites degrade as the temperature increases and the increase in temperature is linked to an increase in the Poisson’s ratio. This physics-based understanding of the effects of temperature and nanoconfiguration on critical mechanical properties will be valuable for the design optimization of nanocomposites.

Original languageEnglish (US)
Title of host publicationSAMPE Conference and Exhibition
EditorsKevin Ahlstrom, Jacob Preston Anderson, Scott Beckwith, Andrew Craig Becnel, Paul Joseph Biermann, Matt Buchholz, Elizabeth Cates, Brian Gardner, Jim Harris, Michael J. Knight, German Reyes-Villanueva, Stephen E. Scarborough, Phil Sears, James Thomas, Erik T. Thostenson
PublisherSoc. for the Advancement of Material and Process Engineering
ISBN (Electronic)9781934551301
StatePublished - 2019
EventSAMPE 2019 Conference and Exhibition - Charlotte, United States
Duration: May 20 2019May 23 2019

Publication series

NameInternational SAMPE Technical Conference


ConferenceSAMPE 2019 Conference and Exhibition
Country/TerritoryUnited States

ASJC Scopus subject areas

  • General Materials Science
  • Mechanics of Materials
  • Mechanical Engineering


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