Mechanical performance of graphene/polymethyl-methacrylate nano-composites under tension loads: A coarse-grained molecular dynamic simulation

HOU Guozhen; CHEN Xiaoming; DING Peng; MA Hechuan; ZHANG Jie; SHAO Jinyou; WU Jianyang

doi:10.13801/j.cnki.fhclxb.20210707.004

Volume 39 Issue 6

Jun. 2022

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HOU Guozhen, CHEN Xiaoming, DING Peng, et al. Mechanical performance of graphene/polymethyl-methacrylate nano-composites under tension loads: A coarse-grained molecular dynamic simulation[J]. Acta Materiae Compositae Sinica, 2022, 39(6): 2962-2973. doi: 10.13801/j.cnki.fhclxb.20210707.004

Citation:

HOU Guozhen, CHEN Xiaoming, DING Peng, et al. Mechanical performance of graphene/polymethyl-methacrylate nano-composites under tension loads: A coarse-grained molecular dynamic simulation[J]. Acta Materiae Compositae Sinica, 2022, 39(6): 2962-2973. doi: 10.13801/j.cnki.fhclxb.20210707.004

Citation:

HOU Guozhen, CHEN Xiaoming, DING Peng, et al. Mechanical performance of graphene/polymethyl-methacrylate nano-composites under tension loads: A coarse-grained molecular dynamic simulation[J]. Acta Materiae Compositae Sinica, 2022, 39(6): 2962-2973. doi: 10.13801/j.cnki.fhclxb.20210707.004

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Mechanical performance of graphene/polymethyl-methacrylate nano-composites under tension loads: A coarse-grained molecular dynamic simulation

doi: 10.13801/j.cnki.fhclxb.20210707.004

HOU Guozhen^1
,,
CHEN Xiaoming^{1
,
,},
DING Peng^1
,,
MA Hechuan^1
,,
ZHANG Jie^2
,,
SHAO Jinyou^1
,,
WU Jianyang^3
,

1.
School of Mechanical Engineering, Xi’an Jiaotong University, Xi’an 710049, China
2.
School of Eletronics and Information Engineering, Xi’an Jiaotong University, Xi’an 710049, China
3.
School of Physical Science and Technology, Xiamen University, Xiamen 361005, China

Received Date: 2021-05-18
Accepted Date: 2021-06-29
Rev Recd Date: 2021-06-27

Available Online: 2021-07-07

Publish Date: 2022-06-01

Abstract

Abstract

Strength is a important factor to consider when designing high-performance composite materials. Inspired by the excellent mechanical properties and complex hierarchical structure of nacre, a nanocomposite was designed, in which the graphene layers were interlaced in the polymethyl methacrylate matrix. Coarse-grained molecular dynamics simulations were used to investigate the effect of various geometrical variations on the mechanical properties under tension loads, including the two-dimensional geometric shapes of graphene, the number of graphene layers, the interlayer distance of the graphene sheets and the overlap length of the graphene sheets. The simulation results show that the strengthening effects of different geometries of graphenes on composites are very different, among which, the rectangle and sawtooth shapes are close to each other and are stronger than the trapezoidal graphene. There is an optimal number of graphene layers to make the composite have the strongest overall mechanical properties. The mechanical properties of graphene can be improved by reducing the interlayer distance of the graphene sheets or increasing the overlap length of the graphene sheets. Overall, this paper systematically studies the influencing factors of graphene-reinforced polymer composites and reveals the influence rules and microscopic mechanisms of each factor. This study provides a useful guidance for the design of nanocompo-sites with targeted properties.
- coarse-grained molecular dynamics,
- graphene/polymethyl-methacrylate nanocomposites,
- tensile,
- geometric shapes,
- mechanical properties
Long Abstrsct
Innovation Points

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References(50)

References

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