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Effect of Defects on the Mechanical 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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6474032/ https://www.ncbi.nlm.nih.gov/pubmed/30832437 http://dx.doi.org/10.3390/nano9030347 |
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author | Li, Maoyuan Deng, Tianzhengxiong Zheng, Bing Zhang, Yun Liao, Yonggui Zhou, Huamin |
author_facet | Li, Maoyuan Deng, Tianzhengxiong Zheng, Bing Zhang, Yun Liao, Yonggui Zhou, Huamin |
author_sort | Li, Maoyuan |
collection | PubMed |
description | 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~L(0.28), 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. |
format | Online Article Text |
id | pubmed-6474032 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-64740322019-05-03 Effect of Defects on the Mechanical and Thermal Properties of Graphene Li, Maoyuan Deng, Tianzhengxiong Zheng, Bing Zhang, Yun Liao, Yonggui Zhou, Huamin Nanomaterials (Basel) Article 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~L(0.28), 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. MDPI 2019-03-03 /pmc/articles/PMC6474032/ /pubmed/30832437 http://dx.doi.org/10.3390/nano9030347 Text en © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Li, Maoyuan Deng, Tianzhengxiong Zheng, Bing Zhang, Yun Liao, Yonggui Zhou, Huamin Effect of Defects on the Mechanical and Thermal Properties of Graphene |
title | Effect of Defects on the Mechanical and Thermal Properties of Graphene |
title_full | Effect of Defects on the Mechanical and Thermal Properties of Graphene |
title_fullStr | Effect of Defects on the Mechanical and Thermal Properties of Graphene |
title_full_unstemmed | Effect of Defects on the Mechanical and Thermal Properties of Graphene |
title_short | Effect of Defects on the Mechanical and Thermal Properties of Graphene |
title_sort | effect of defects on the mechanical and thermal properties of graphene |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6474032/ https://www.ncbi.nlm.nih.gov/pubmed/30832437 http://dx.doi.org/10.3390/nano9030347 |
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