@inproceedings{a5b0385c59ea41489a70ef3606013dc3,
title = "A multiscale model coupling molecular dynamics simulations and micromechanics to study the behavior of CNT-enhanced nanocomposites",
abstract = "A comprehensive, point-information-to-continuum-level analysis framework is presented in this paper to accurately characterize the behavior of CNT-enhanced composite materials. Molecular dynamics (MD) simulations are performed to study atomistic interactions of the CNT with the polymeric phase. The effect of cross-linking between the epoxy resin and the hardener on the mechanical properties of the polymer is investigated; furthermore, the effect of CNT weight fraction on the most likely polymer cross-linking degree is also studied through stochastic models. The stochastic distributions obtained from MD simulations provide a basis to simulate local variations in the matrix properties at the fiber-centered continuum model at the microscale. The interfaces at nanoscale (CNT and matrix) and microscale (fiber and CNT-dispersed matrix) are characterized by performing CNT pullout simulations, and a single fiber pullout simulation, respectively.",
author = "Nithya Subramanian and Ashwin Rai and Siddhant Datta and Bonsung Koo and Aditi Chattopadhyay",
year = "2015",
doi = "10.2514/6.2015-0390",
language = "English",
series = "56th AIAA/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference",
publisher = "American Institute of Aeronautics and Astronautics Inc. (AIAA)",
booktitle = "56th AIAA/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference",
address = "United States",
note = "56th AIAA/ASCE/AHS/ASC Structures, Structural Dynamics, and Materials Conference 2015 ; Conference date: 05-01-2015 Through 09-01-2015",
}