Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene
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 stre...
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MDPI AG
2019-05-01
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| Series: | Crystals |
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| Online Access: | https://www.mdpi.com/2073-4352/9/5/238 |
| _version_ | 1818035368522416128 |
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| author | Lu Xie Tingwei Sun Chenwei He Haojie An Qin Qin Qing Peng |
| author_facet | Lu Xie Tingwei Sun Chenwei He Haojie An Qin Qin Qing Peng |
| author_sort | Lu Xie |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-12-10T06:53:57Z |
| format | Article |
| id | doaj.art-8819ad058cec48418162c3c0fe12bd24 |
| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-12-10T06:53:57Z |
| publishDate | 2019-05-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Crystals |
| spelling | doaj.art-8819ad058cec48418162c3c0fe12bd242022-12-22T01:58:28ZengMDPI AGCrystals2073-43522019-05-019523810.3390/cryst9050238cryst9050238Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-GrapheneLu Xie0Tingwei Sun1Chenwei He2Haojie An3Qin Qin4Qing Peng5School of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaSchool of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaChina Nuclear Power Technology Research Institute Co., Ltd., Reactor Engineering and Safety Research Center, Shenzhen 518031, ChinaSchool of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaSchool of Mechanical Engineering, University of Science and Technology Beijing, Beijing 100083, ChinaNuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI 48108, USAThe 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.https://www.mdpi.com/2073-4352/9/5/238PSI-graphenemechanical propertiesstretching directionfracture morphologyvacancy defects |
| spellingShingle | Lu Xie Tingwei Sun Chenwei He Haojie An Qin Qin Qing Peng Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene Crystals PSI-graphene mechanical properties stretching direction fracture morphology vacancy defects |
| title | Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene |
| title_full | Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene |
| title_fullStr | Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene |
| title_full_unstemmed | Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene |
| title_short | Effect of Angle, Temperature and Vacancy Defects on Mechanical Properties of PSI-Graphene |
| title_sort | effect of angle temperature and vacancy defects on mechanical properties of psi graphene |
| topic | PSI-graphene mechanical properties stretching direction fracture morphology vacancy defects |
| url | https://www.mdpi.com/2073-4352/9/5/238 |
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