標題: Characterizing elastic properties of carbon nanotubes/polyimide nanocomposites using multi-scale simulation
作者: Tsai, Jia-Lin
Tzeng, Shi-Hua
Chiu, Yu-Tsung
機械工程學系
Department of Mechanical Engineering
關鍵字: Nano-structures;Micro-mechanics;Mechanical properties;Molecular dynamics
公開日期: 1-一月-2010
摘要: This research is aimed at characterizing the elastic properties of carbon nanotubes (CNTs) reinforced polyimide nanocomposites using a multi-scale simulation approach. The hollow cylindrical molecular structures of CNTs were modeled as a transverse isotropic solid, the equivalent elastic properties of which were determined from the molecular mechanics calculations in conjunction with the energy equivalent concept. Subsequently, the molecular structures of the CNTs/polyimide nanocomposites were established through h molecular dynamics (MD) simulation, from which the non-bonded gap as well as the non-bonded energy between the CNTs and the Surrounding polyimide were evaluated It was postulated that the normalized non-bonded energy (non-bonded energy divided by surface area of the CNTs) is correlated with the extent of the interfacial interaction. Afterwards. an effective interphase was introduced between the CNTs and polyimide polymer to characterize the degree of non-bonded interaction. The dimension of the interphase was assumed equal to the non-bonded gap, and the corresponding elastic stiffness was calculated from the normalized non-bonded energy. The elastic properties of the CNT nanocomposites were predicted by a three-phase micromechanical model in which the equivalent solid cylinder of CNTs, polyimide matrix. and the effective interphase were included. Results indicated that the longitudinal moduli of the nanocomposites obtained based on the three-phase model were in good agreement with those calculated from MD simulation. Moreover, they fit well with the conventional rule of mixture predictions. On the other hand, in the transverse direction, the three-phase model is superior to the conventional micromechanical model since it is capable of predicting the dependence of transverse modulus on the radii of nanotubes. (C) 2009 Elsevier Ltd. All rights reserved.
URI: http://dx.doi.org/10.1016/j.compositesb.2009.06.003
http://hdl.handle.net/11536/6091
ISSN: 1359-8368
DOI: 10.1016/j.compositesb.2009.06.003
期刊: COMPOSITES PART B-ENGINEERING
Volume: 41
Issue: 1
起始頁: 106
結束頁: 115
顯示於類別:期刊論文


文件中的檔案:

  1. 000274169800014.pdf

若為 zip 檔案,請下載檔案解壓縮後,用瀏覽器開啟資料夾中的 index.html 瀏覽全文。