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 | Source: | Journal of applied physics, 2014, v. 115, no. 12, 123520, p. 123520-1-123520-6 | 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. | Publisher: | American Institute of Physics | Journal: | Journal of applied physics | ISSN: | 0021-8979 | EISSN: | 1089-7550 | DOI: | 10.1063/1.4870170 | Rights: | © 2014 AIP Publishing LLC. This article may be downloaded for personal use only. Any other use requires prior permission of the author and AIP Publishing. This article appeared in M. C. Wang et al., J. Appl. Phys. 115, 123520 (2014) and may be found at https://dx.doi.org/10.1063/1.4870170 |
Appears in Collections: | Journal/Magazine Article |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
Wang_Atomistic_Simulation_Surface.pdf | 3.85 MB | Adobe PDF | View/Open |
Page views
134
Last Week
2
2
Last month
0
0
Citations as of Apr 14, 2024
Downloads
114
Citations as of Apr 14, 2024
SCOPUSTM
Citations
53
Last Week
0
0
Last month
Citations as of Apr 19, 2024
WEB OF SCIENCETM
Citations
52
Last Week
1
1
Last month
Citations as of Apr 18, 2024
Google ScholarTM
Check
Altmetric
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.