Molecular dynamics simulations for the analysis of nanoengineered fuzzy fiber composites

Nithya Subramanian, Aditi Chattopadhyay

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

2 Citations (Scopus)

Abstract

This paper presents the implementation of an atomistic computational framework to investigate a fuzzy fiber nanocomposite architecture. A polymeric functional coating for the carbon fiber surface, which also serves as a substrate for the CNT growth, is explicitly modeled. Additionally, the carbon fiber surface is modeled through irregularly stacked graphene layers with voids. Radially grown CNTs and epoxy resin and hardener molecules are also included at the nanocomposite interface. The epoxy curing simulation is carried out first, followed by virtual deformation of the simulation volume. The tensile and transverse moduli of the fuzzy fiber nanocomposite interface is computed from the virtual deformation simulations. Results indicate that the out-of-plane interface modulus is significantly improved, compared to the traditional fiber/matrix interface by the addition of the polymer coating and radially-grown CNTs. The in-plane transvers modulus also shows improvement and the atomistic modeling framework is able to capture the physical mechanisms that lead to improvement/degradation of material properties.

Original languageEnglish (US)
Title of host publicationAIAA/AHS Adaptive Structures
PublisherAmerican Institute of Aeronautics and Astronautics Inc, AIAA
Edition209979
ISBN (Print)9781624105319
DOIs
StatePublished - Jan 1 2018
EventAIAA/AHS Adaptive Structures Conference, 2018 - Kissimmee, United States
Duration: Jan 8 2018Jan 12 2018

Other

OtherAIAA/AHS Adaptive Structures Conference, 2018
CountryUnited States
CityKissimmee
Period1/8/181/12/18

Fingerprint

Molecular dynamics
Nanocomposites
Carbon fibers
Fibers
Computer simulation
Composite materials
Coatings
Epoxy resins
Graphene
Curing
Materials properties
Degradation
Molecules
Polymers
Substrates

ASJC Scopus subject areas

  • Building and Construction
  • Mechanical Engineering
  • Electrical and Electronic Engineering
  • Civil and Structural Engineering
  • Mechanics of Materials

Cite this

Subramanian, N., & Chattopadhyay, A. (2018). Molecular dynamics simulations for the analysis of nanoengineered fuzzy fiber composites. In AIAA/AHS Adaptive Structures (209979 ed.). American Institute of Aeronautics and Astronautics Inc, AIAA. https://doi.org/10.2514/6.2018-1285

Molecular dynamics simulations for the analysis of nanoengineered fuzzy fiber composites. / Subramanian, Nithya; Chattopadhyay, Aditi.

AIAA/AHS Adaptive Structures. 209979. ed. American Institute of Aeronautics and Astronautics Inc, AIAA, 2018.

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

Subramanian, N & Chattopadhyay, A 2018, Molecular dynamics simulations for the analysis of nanoengineered fuzzy fiber composites. in AIAA/AHS Adaptive Structures. 209979 edn, American Institute of Aeronautics and Astronautics Inc, AIAA, AIAA/AHS Adaptive Structures Conference, 2018, Kissimmee, United States, 1/8/18. https://doi.org/10.2514/6.2018-1285
Subramanian N, Chattopadhyay A. Molecular dynamics simulations for the analysis of nanoengineered fuzzy fiber composites. In AIAA/AHS Adaptive Structures. 209979 ed. American Institute of Aeronautics and Astronautics Inc, AIAA. 2018 https://doi.org/10.2514/6.2018-1285
Subramanian, Nithya ; Chattopadhyay, Aditi. / Molecular dynamics simulations for the analysis of nanoengineered fuzzy fiber composites. AIAA/AHS Adaptive Structures. 209979. ed. American Institute of Aeronautics and Astronautics Inc, AIAA, 2018.
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