A comparative study on enhancement of mechanical and tribological properties of nitrile rubber composites reinforced by different functionalized graphene sheets: Molecular dynamics simulations

2020 ◽  
Author(s):  
Jianzheng Cui ◽  
Jing Zhao ◽  
Shijie Wang ◽  
Yunlong Li
Keyword(s):  
Molecular Dynamics ◽  
Comparative Study ◽  
Molecular Dynamics Simulations ◽  
Tribological Properties ◽  
Nitrile Rubber ◽  
Graphene Sheets ◽  
Functionalized Graphene ◽  
Rubber Composites ◽  
Mechanical And Tribological Properties ◽  
Dynamics Simulations

Behavior of protruding lateral plane graphene sheets in liquid dodecane: molecular dynamics simulations

2016 ◽  
Vol 18 (11) ◽  
Author(s):  
Shenghui Chen ◽  
Shuangqing Sun ◽  
Chunling Li ◽  
Charles U. Pittman ◽  
Thomas E. Lacy ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Graphene Sheets ◽  
Lateral Plane ◽  
Dynamics Simulations

Vibration of Single- and Double-Layered Graphene Sheets

2011 ◽  
Vol 2 (1) ◽  
Author(s):  
Behrouz Arash ◽  
Quan Wang
Keyword(s):  
Molecular Dynamics ◽  
Boundary Conditions ◽  
Molecular Dynamics Simulations ◽  
Nonlocal Parameter ◽  
Small Scale ◽  
Graphene Sheets ◽  
Elastic Model ◽  
Resonant Frequencies ◽  
Nonlocal Continuum Theory ◽  
Dynamics Simulations

Free vibration of single- and double-layered graphene sheets is investigated by employing nonlocal continuum theory and molecular dynamics simulations. Results show that the classical elastic model overestimated the resonant frequencies of the sheets by a percentage as high as 62%. The dependence of small-scale effects, sizes of sheets, boundary conditions, and number of layers on vibrational characteristic of single- and double-layered graphene sheets is studied. The resonant frequencies predicted by the nonlocal elastic plate theory are verified by the molecular dynamics simulations, and the nonlocal parameter is calibrated through the verification process. The simulation results reveal that the calibrated nonlocal parameter depends on boundary conditions and vibrational modes. The nonlocal plate model is found to be indispensable in vibration analysis of grapheme sheets with a length less than 8 nm on their sides.

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