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Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene

1
School of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, China
2
China Nuclear Power Technology Research Institute Co., Ltd., Reactor Engineering and Safety Research Center, Shenzhen 518031, China
3
Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI 48108, USA
*
Authors to whom correspondence should be addressed.
Crystals 2019, 9(5), 238; https://doi.org/10.3390/cryst9050238
Received: 30 March 2019 / Revised: 29 April 2019 / Accepted: 4 May 2019 / Published: 6 May 2019
(This article belongs to the Special Issue Graphene Mechanics)
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Abstract

The PSI-graphene, a two-dimensional structure, was a novel carbon allotrope. In this paper, based on molecular dynamics simulation, the effects of stretching direction, temperature and vacancy defects on the mechanical properties of PSI-graphene were studied. We found that when PSI-graphene was stretched along 0° and 90° at 300 K, the ultimate strength reached a maximum of about 65 GPa. And when stretched along 54.2° and 155.2° at 300 K, the Young’s modulus had peaks, which were 1105 GPa and 2082 GPa, respectively. In addition, when the temperature was raised from 300 K to 900 K, the ultimate strength in all directions was reduced. The fracture morphology of PSI-graphene stretched at different angles was also shown in the text. In addition, the number of points removed from PSI-graphene sheet also seriously affected the tensile properties of the material. It was found that, compared with graphene, PSI-graphene didn’t have the negative Poisson’s ratio phenomenon when it was stretched along the direction of 0°, 11.2°, 24.8° and 34.7°. Our results provided a reference for studying the multi-angle stretching of other carbon structures at various temperatures. View Full-Text
Keywords: PSI-graphene; mechanical properties; stretching direction; fracture morphology; vacancy defects PSI-graphene; mechanical properties; stretching direction; fracture morphology; vacancy defects
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Xie, L.; Sun, T.; He, C.; An, H.; Qin, Q.; Peng, Q. Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene. Crystals 2019, 9, 238.

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