Title: Evaluation and prediction of mechanical properties of HDPE grade P5300 using molecular dynamics

Authors: Vijay Kumar Dwivedi; Dipak Kumar

Addresses: Mechanical Engineering Department, GLA University, Mathura 281406, UP, India ' Mechanical Engineering Department, RKGIT, Ghaziabad 201003, India; Affiliated to: AKTU, Lucknow, UP, India

Abstract: The present paper discusses about the dispersion of single walled carbon nanotubes (SWCNTs) in the high-density polyethylene (HDPE)-P5300, for investigation and their prediction of the important mechanical properties of grade P5300 done on the software 'Material Studio 6.0'. Modelling and simulations are performed on five different samples of single walled carbon nanotubes introducing into high-density polyethylene (SWCNTs/HDPE) composites with SWCNT variation from 0.0 to 5.0 wt.%. A maximum value of 468.91 MPa of Young's modulus with 5.0 wt.% SWCNT/HDPE composite was obtained, as compared to pure HDPE composite. Acquired most extreme estimation of flexural modulus got was 991.9 MPa. Significant addition of 0.49% and 0.28% regarding unadulterated HDPE was likewise be investigated for 5.0 wt.% sample in Young's and flexural modulus individually. This study will assist in the modelling, simulation and design of advanced nanotube reinforced HDPE composites for potential real-life applications.

Keywords: HDPE-P5300; single walled carbon nanotube; SWCN; SWCT; molecular simulation; mechanical properties.

DOI: 10.1504/IJCMSSE.2020.109557

International Journal of Computational Materials Science and Surface Engineering, 2020 Vol.9 No.2, pp.85 - 104

Received: 10 Jan 2019
Accepted: 07 Dec 2019

Published online: 15 Sep 2020 *

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