Investigation of interfacial mechanical properties of graphene-polymer nanocomposites. Issue 14 (21st September 2016)

• Record Type: Journal Article
• Authors: Liu, Feng; Hu, Ning; Han, Meng; Atobe, Satoshi; Ning, Huiming; Liu, Yaolu; Wu, Liangke
• Is Part Of: Molecular simulation. Volume 42:Issue 14(2016)
• Page Start: 1165
• Page End: 1170
• Publication Date: 2016-09-21
• Subjects: Molecular dynamics -- interfacial mechanical property -- graphene -- nanocomposites -- pull-out simulation; Molecular dynamics -- Computer simulation -- Periodicals; Statistical mechanics -- Computer simulation -- Periodicals; 539.6
• DOI: 10.1080/08927022.2016.1154550
• Languages: English
• ISSNs: 0892-7022

Abstract

Abstract: A series of graphene (GR) pull-out simulations based on molecular dynamics (MD) were carried out to investigate the interfacial mechanical properties between GR and a polymer matrix (polyethylene: PE). The effects of pull-out velocity, number of vacancy defect in GR and temperature on the interfacial mechanical properties of a GR/PE nanocomposite system were explored. The obtained results showed that the pull-out velocity and the temperature have significant influences on the interfacial mechanical properties for a perfect GR. Moderate vacancy defects in GR can effectively enhance the interfacial mechanical properties in GR-based polymer nanocomposites.