Thermo-mechanical characterization of multi-walled carbon nanotube reinforced polycarbonate composites: A molecular dynamics approach

Sumit Sharma; Rakesh Chandra; Pramod Kumar; Navin Kumar

doi:10.1016/j.crme.2015.03.002

Thermo-mechanical characterization of multi-walled carbon nanotube reinforced polycarbonate composites: A molecular dynamics approach

Sumit Sharma ¹ ; Rakesh Chandra ²; Pramod Kumar ²; Navin Kumar ³

¹ School of Mechanical Engineering, Lovely Professional University, Phagwara, India
² Department of Mechanical Engineering, Dr. B.R. Ambedkar National Institute of Technology, Jalandhar, India
³ School of Mechanical, Materials & Energy Engineering (SMMEE), Indian Institute of Technology, Ropar, India

Comptes Rendus. Mécanique, Volume 343 (2015) no. 5-6, pp. 371-396.

Abstract

The present study aims at examining the mechanical properties of multi-walled carbon nanotubes–polycarbonate composites (MWCNT–PC), through a molecular dynamics (MD) simulation. Composites of MWCNT–PC were modeled using Materials Studio 5.5 software. Multiwall carbon nanotubes (MWCNTs) compositions in polycarbonate (PC) were varied by weight from 0.5% to 10% and also by volume from 2% to 16%. Forcite module in Materials Studio was used for finding mechanical properties. A marked increase in the elastic modulus (up to 89%) has been observed, even with the addition of a small quantity (up to 2 weight %) of MWCNTs. Also, upon addition of about 2 volume % of MWCNTs, the elastic modulus increases by almost 10%. The increase in mechanical properties is found to supplement earlier experimental investigations of these composites using nano-indentation techniques. Better load transfer property of MWCNTs, larger surface area and interaction between reinforcement with base matrix are the suggested reasons for this increase in mechanical properties.

Received: 2015-01-31
Accepted: 2015-03-11
Published online: 2015-04-23

DOI: 10.1016/j.crme.2015.03.002

Mots clés : Carbon nanotube, Damping, Mechanical properties, Molecular dynamics, Polycarbonate, Thermal conductivity

Author's affiliations:

Sumit Sharma ¹; Rakesh Chandra ²; Pramod Kumar ²; Navin Kumar ³

¹ School of Mechanical Engineering, Lovely Professional University, Phagwara, India
² Department of Mechanical Engineering, Dr. B.R. Ambedkar National Institute of Technology, Jalandhar, India
³ School of Mechanical, Materials & Energy Engineering (SMMEE), Indian Institute of Technology, Ropar, India

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     author = {Sumit Sharma and Rakesh Chandra and Pramod Kumar and Navin Kumar},
     title = {Thermo-mechanical characterization of multi-walled carbon nanotube reinforced polycarbonate composites: {A} molecular dynamics approach},
     journal = {Comptes Rendus. M\'ecanique},
     pages = {371--396},
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     year = {2015},
     doi = {10.1016/j.crme.2015.03.002},
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Sumit Sharma; Rakesh Chandra; Pramod Kumar; Navin Kumar. Thermo-mechanical characterization of multi-walled carbon nanotube reinforced polycarbonate composites: A molecular dynamics approach. Comptes Rendus. Mécanique, Volume 343 (2015) no. 5-6, pp. 371-396. doi : 10.1016/j.crme.2015.03.002. https://comptes-rendus.academie-sciences.fr/mecanique/articles/10.1016/j.crme.2015.03.002/

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