The Controllable Mechanical Properties of Coiled Carbon Nanotubes with Stone-Wales and Vacancy Defects

Bie, Zhiwu1; Deng, Yajie2; Liu, Xuefeng3; Zhu, Jiaqi1; Tao, Jixiao3; Shi, Xian4; He, Xiaoqiao1,5

2023-10-01

10.3390/nano13192656

NANOMATERIALS   影响因子和分区

2079-4991

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 similar to 1.93 nN/nm), elastic limit (75.2 similar to 88.7%), ductility (108.5 similar to 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.

defected coiled carbon nanotubes Stone-Wales defects vacancy defects molecular dynamics

SCI

英语

其他

Research Grants Council of the Hong Kong Special Administrative Region, China[CityU 11206723] ; National Natural Science Foundation of China[12102162] ; National Science Foundation of China[12002240]

Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics

Chemistry, Multidisciplinary ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Applied

WOS:001085047600001

MDPI

Web of Science

1.City Univ Hong Kong, Dept Architecture & Civil Engn, Tat Chee Ave, Hong Kong, Peoples R China
2.Tongji Univ, Sch Aerosp Engn & Appl Mech, Shanghai 200092, Peoples R China
3.Southern Univ Sci & Technol, Dept Mech & Aerosp Engn, Shenzhen 518055, Peoples R China
4.Suzhou Univ Sci & Technol, Sch Civil Engn, Suzhou 215009, Peoples R China
5.City Univ Hong Kong, Shenzhen Res Inst, Ctr Adv Struct Mat, Shenzhen 518057, Peoples R China

Bie, Zhiwu,Deng, Yajie,Liu, Xuefeng,et al. The Controllable Mechanical Properties of Coiled Carbon Nanotubes with Stone-Wales and Vacancy Defects[J]. NANOMATERIALS,2023,13(19).

Bie, Zhiwu.,Deng, Yajie.,Liu, Xuefeng.,Zhu, Jiaqi.,Tao, Jixiao.,...&He, Xiaoqiao.(2023).The Controllable Mechanical Properties of Coiled Carbon Nanotubes with Stone-Wales and Vacancy Defects.NANOMATERIALS,13(19).

Bie, Zhiwu,et al."The Controllable Mechanical Properties of Coiled Carbon Nanotubes with Stone-Wales and Vacancy Defects".NANOMATERIALS 13.19(2023).