NDLI: Molecular modeling for calculation of mechanical properties of EPON862 / SWCNTs composites

Content Provider	IEEE Xplore Digital Library
Author	Mittal, R. Rastogi, M. Mahatele, N. Vidhyarthi, A.
Copyright Year	2011
Description	Author affiliation: Department of Mechanical Engineering, GLA University, Mathura, U.P, India (Rastogi, M.; Mahatele, N.; Vidhyarthi, A.) \|\| Hindustan College of Science & Technology, Mathura, U.P, India (Mittal, R.)
Abstract	Carbon nanotubes have various unique properties beneficial for use in various electronic devices such as quantum wires, optical switchers, nano-transistors etc. Theoretical and experimental attempts were made in past decade to predict material properties of CNTs. Atomistic models of EPON 862 polymers were built in order to assess the effect of structure at the nanometer scale on the resulting bulk properties such as elastic modulus and thermal conductivity. The present paper studies the effect of the diameter of single walled carbon nanotubes (SWCNTs) on mechanical properties of SWCNTs reinforced EPON 862 resin composites. Bulk atomistic models of EPON 862 resin- SWCNTs with different compositions were built and were subject of an extensive multistage equilibration procedure. Molecular dynamics simulations were used to estimate young's modulus of EPON 862 resin and EPON 862 resin/SWCNTs composites. The Young's moduli generally increased with increasing of SWCNTs content and values range from 2.56 GPa in the case of pure EPON 862 resins to 3.94 GPa for EPON 862 resin/SWCNTs (8,8) composite system. Overall, the agreement between predicted values of the material properties and experimental data in the literature is satisfactory.
Starting Page	30
Ending Page	34
File Size	653853
Page Count	5
File Format	PDF
ISBN	9781467300711
e-ISBN	9781467300742
DOI	10.1109/ICONSET.2011.6167903
Language	English
Publisher	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Publisher Date	2011-11-28
Publisher Place	India
Access Restriction	Subscribed
Rights Holder	Institute of Electrical and Electronics Engineers, Inc. (IEEE)
Subject Keyword	Deformable models Carbon nanotube Young's modulus Computational modeling EPON862 IEEE 802.3 Standards Molecular dynamics EPON Mechanical factors Polymers
Content Type	Text
Resource Type	Article

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