The Controllable Mechanical Properties of Coiled Carbon Nanotubes with Stone–Wales and Vacancy Defects
Coiled carbon nanotubes (CCNTs) as a promising nanometer scale spring are investigated for the effect of the defects on the tensile mechanical properties of CCNTs by using molecular dynamics (MD) simulations. Six samples of defective CCNTs are constructed by introducing the defects in the different...
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| Format: | Article |
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MDPI AG
2023-09-01
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| Series: | Nanomaterials |
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| Online Access: | https://www.mdpi.com/2079-4991/13/19/2656 |
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| author | Zhiwu Bie Yajie Deng Xuefeng Liu Jiaqi Zhu Jixiao Tao Xian Shi Xiaoqiao He |
| author_facet | Zhiwu Bie Yajie Deng Xuefeng Liu Jiaqi Zhu Jixiao Tao Xian Shi Xiaoqiao He |
| author_sort | Zhiwu Bie |
| collection | DOAJ |
| description | Coiled carbon nanotubes (CCNTs) as a promising nanometer scale spring are investigated for the effect of the defects on the tensile mechanical properties of CCNTs by using molecular dynamics (MD) simulations. Six samples of defective CCNTs are constructed by introducing the defects in the different positions. The results show an obvious decrease in the spring constant and elastic limit of defective CCNTs, which results in the lower energy storage ability during the elastic range compared with the perfect CCNTs. However, the defected CCNTs exhibit better ductility (138.9%) and higher energy absorbing ability (1539.93 J/g) during the fracture process since introduced defects change the deformation pattern. Furthermore, among the defected CCNTs, the stiffness (1.48~1.93 nN/nm), elastic limit (75.2~88.7%), ductility (108.5~138.9%), and deformation pattern can be adjusted by changing the position or the type of defects. This study firstly provides insight into the effects of Stone–Wales (SW) and vacancy defects on the mechanical properties of CCNTs, and the obtained results are meaningful for designing CCNTs with specified properties by introducing defects. |
| first_indexed | 2024-03-10T21:38:55Z |
| format | Article |
| id | doaj.art-9df92018bedd4c80bf7f0471ca37e892 |
| institution | Directory Open Access Journal |
| issn | 2079-4991 |
| language | English |
| last_indexed | 2024-03-10T21:38:55Z |
| publishDate | 2023-09-01 |
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| record_format | Article |
| series | Nanomaterials |
| spelling | doaj.art-9df92018bedd4c80bf7f0471ca37e8922023-11-19T14:49:00ZengMDPI AGNanomaterials2079-49912023-09-011319265610.3390/nano13192656The Controllable Mechanical Properties of Coiled Carbon Nanotubes with Stone–Wales and Vacancy DefectsZhiwu Bie0Yajie Deng1Xuefeng Liu2Jiaqi Zhu3Jixiao Tao4Xian Shi5Xiaoqiao He6Department of Architecture and Civil Engineering, City University of Hong Kong, Tat Chee Avenue, Hong KongSchool of Aerospace Engineering and Applied Mechanics, Tongji University, Shanghai 200092, ChinaDepartment of Mechanics and Aerospace Engineering, Southern University of Science and Technology, Shenzhen 518055, ChinaDepartment of Architecture and Civil Engineering, City University of Hong Kong, Tat Chee Avenue, Hong KongDepartment of Mechanics and Aerospace Engineering, Southern University of Science and Technology, Shenzhen 518055, ChinaSchool of Civil Engineering, Suzhou University of Science and Technology, Suzhou 215009, ChinaDepartment of Architecture and Civil Engineering, City University of Hong Kong, Tat Chee Avenue, Hong KongCoiled carbon nanotubes (CCNTs) as a promising nanometer scale spring are investigated for the effect of the defects on the tensile mechanical properties of CCNTs by using molecular dynamics (MD) simulations. Six samples of defective CCNTs are constructed by introducing the defects in the different positions. The results show an obvious decrease in the spring constant and elastic limit of defective CCNTs, which results in the lower energy storage ability during the elastic range compared with the perfect CCNTs. However, the defected CCNTs exhibit better ductility (138.9%) and higher energy absorbing ability (1539.93 J/g) during the fracture process since introduced defects change the deformation pattern. Furthermore, among the defected CCNTs, the stiffness (1.48~1.93 nN/nm), elastic limit (75.2~88.7%), ductility (108.5~138.9%), and deformation pattern can be adjusted by changing the position or the type of defects. This study firstly provides insight into the effects of Stone–Wales (SW) and vacancy defects on the mechanical properties of CCNTs, and the obtained results are meaningful for designing CCNTs with specified properties by introducing defects.https://www.mdpi.com/2079-4991/13/19/2656defected coiled carbon nanotubesStone–Wales defectsvacancy defectsmolecular dynamics |
| spellingShingle | Zhiwu Bie Yajie Deng Xuefeng Liu Jiaqi Zhu Jixiao Tao Xian Shi Xiaoqiao He The Controllable Mechanical Properties of Coiled Carbon Nanotubes with Stone–Wales and Vacancy Defects Nanomaterials defected coiled carbon nanotubes Stone–Wales defects vacancy defects molecular dynamics |
| title | The Controllable Mechanical Properties of Coiled Carbon Nanotubes with Stone–Wales and Vacancy Defects |
| title_full | The Controllable Mechanical Properties of Coiled Carbon Nanotubes with Stone–Wales and Vacancy Defects |
| title_fullStr | The Controllable Mechanical Properties of Coiled Carbon Nanotubes with Stone–Wales and Vacancy Defects |
| title_full_unstemmed | The Controllable Mechanical Properties of Coiled Carbon Nanotubes with Stone–Wales and Vacancy Defects |
| title_short | The Controllable Mechanical Properties of Coiled Carbon Nanotubes with Stone–Wales and Vacancy Defects |
| title_sort | controllable mechanical properties of coiled carbon nanotubes with stone wales and vacancy defects |
| topic | defected coiled carbon nanotubes Stone–Wales defects vacancy defects molecular dynamics |
| url | https://www.mdpi.com/2079-4991/13/19/2656 |
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