Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene
AbstractThe 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
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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.
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(5):238.Chicago/Turabian Style
Xie, Lu; Sun, Tingwei; He, Chenwei; An, Haojie; Qin, Qin; Peng, Qing. 2019. "Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene." Crystals 9, no. 5: 238.
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