Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/36010
Title: Atomistic simulation of surface functionalization on the interfacial properties of graphene-polymer nanocomposites
Authors: Wang, MC
Lai, ZB
Galpaya, D
Yan, C
Hu, N
Zhou, LM 
Issue Date: 2014
Publisher: American Institute of Physics
Source: Journal of applied physics, 2014, v. 115, no. 12, 123520 How to cite?
Journal: Journal of applied physics 
Abstract: Graphene has been increasingly used as nano sized fillers to create a broad range of nanocomposites with exceptional properties. The interfaces between fillers and matrix play a critical role in dictating the overall performance of a composite. However, the load transfer mechanism along graphene-polymer interface has not been well understood. In this study, we conducted molecular dynamics simulations to investigate the influence of surface functionalization and layer length on the interfacial load transfer in graphene-polymer nanocomposites. The simulation results show that oxygen-functionalized graphene leads to larger interfacial shear force than hydrogen-functionalized and pristine ones during pull-out process. The increase of oxygen coverage and layer length enhances interfacial shear force. Further increase of oxygen coverage to about 7% leads to a saturated interfacial shear force. A model was also established to demonstrate that the mechanism of interfacial load transfer consists of two contributing parts, including the formation of new surface and relative sliding along the interface. These results are believed to be useful in development of new graphene-based nanocomposites with better interfacial properties.
URI: http://hdl.handle.net/10397/36010
ISSN: 0021-8979 (print)
1089-7550 (online)
DOI: 10.1063/1.4870170
Appears in Collections:Journal/Magazine Article

Access
View full-text via PolyU eLinks SFX Query
Show full item record

SCOPUSTM   
Citations

13
Citations as of Jan 22, 2017

WEB OF SCIENCETM
Citations

12
Last Week
2
Last month
Citations as of Jan 18, 2017

Page view(s)

19
Last Week
0
Last month
Checked on Jan 15, 2017

Google ScholarTM

Check

Altmetric



Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.