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Article

Effect of Defects on the Mechanical and Thermal Properties of Graphene

1
State Key Laboratory of Material Processing and Die & Mold Technology, Huazhong University of Science and Technology, Wuhan 430074, China
2
Key Laboratory of Material Chemistry for Energy Conversion and Storage, School of Chemistry and Chemical Engineering, Huazhong University of Science and Technology, Ministry of Education, Wuhan 430074, China
*
Author to whom correspondence should be addressed.
Nanomaterials 2019, 9(3), 347; https://doi.org/10.3390/nano9030347
Received: 26 January 2019 / Revised: 21 February 2019 / Accepted: 21 February 2019 / Published: 3 March 2019
(This article belongs to the Special Issue Electronic and Thermal Properties of Graphene)
In this study, the mechanical and thermal properties of graphene were systematically investigated using molecular dynamic simulations. The effects of temperature, strain rate and defect on the mechanical properties, including Young’s modulus, fracture strength and fracture strain, were studied. The results indicate that the Young’s modulus, fracture strength and fracture strain of graphene decreased with the increase of temperature, while the fracture strength of graphene along the zigzag direction was more sensitive to the strain rate than that along armchair direction by calculating the strain rate sensitive index. The mechanical properties were significantly reduced with the existence of defect, which was due to more cracks and local stress concentration points. Besides, the thermal conductivity of graphene followed a power law of λ~L0.28, and decreased monotonously with the increase of defect concentration. Compared with the pristine graphene, the thermal conductivity of defective graphene showed a low temperature-dependent behavior since the phonon scattering caused by defect dominated the thermal properties. In addition, the corresponding underlying mechanisms were analyzed by the stress distribution, fracture structure during the deformation and phonon vibration power spectrum. View Full-Text
Keywords: mechanical properties; thermal properties; graphene; defect; molecular dynamic mechanical properties; thermal properties; graphene; defect; molecular dynamic
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MDPI and ACS Style

Li, M.; Deng, T.; Zheng, B.; Zhang, Y.; Liao, Y.; Zhou, H. Effect of Defects on the Mechanical and Thermal Properties of Graphene. Nanomaterials 2019, 9, 347. https://doi.org/10.3390/nano9030347

AMA Style

Li M, Deng T, Zheng B, Zhang Y, Liao Y, Zhou H. Effect of Defects on the Mechanical and Thermal Properties of Graphene. Nanomaterials. 2019; 9(3):347. https://doi.org/10.3390/nano9030347

Chicago/Turabian Style

Li, Maoyuan, Tianzhengxiong Deng, Bing Zheng, Yun Zhang, Yonggui Liao, and Huamin Zhou. 2019. "Effect of Defects on the Mechanical and Thermal Properties of Graphene" Nanomaterials 9, no. 3: 347. https://doi.org/10.3390/nano9030347

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