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Meccanica

, Volume 54, Issue 14, pp 2281–2293 | Cite as

Mechanical deformations of carbon nanorings: a study by molecular dynamics and nonlocal continuum mechanics

  • Jin ZhangEmail author
Article
  • 160 Downloads

Abstract

Understanding of the elastic deformation behaviours of recently synthesised carbon nanorings (CNRs) is crucial in guiding their future applications, because the strain engineering provides an efficient means to modify their physical and chemical properties. In this paper, by using molecular dynamics simulations and nonlocal continuum mechanics models, we study the elastic deformations of CNRs with three different molecular structures, i.e., cycloparaphenylenes (CPPs), [4]cyclochrysenylenes and cyclacenes. Our results show that, compared to other two types of CNRs, CPPs have the smallest mechanical stiffness, which is attributed to the influence of numerous weak connecting carbon–carbon bonds existing between their component benzene rings. In addition to the molecular structure, the elastic deformation behaviours of CNRs are also found to strongly depend on the size. Specifically, the compressive stiffness of CNRs is found to increase as their size (radius) decreases. Meanwhile, the size reduction of CNRs can trigger the anisotropy of their compressive stiffness and can also aggravate the influence of small-scale effects on their elastic deformation behaviours, which can significantly reduce the compressive stiffness.

Keywords

Carbon nanorings Elastic deformation Mechanical properties Small-scale effects 

Notes

Acknowledgements

This work was supported by the National Natural Science Foundation of China (No. 11602074). The author also acknowledges the financial support from Harbin Institute of Technology (Shenzhen Graduate School) through the Scientific Research Starting Project for New Faculty.

Compliance with ethical standards

Conflict of interest

The authors declare that they have no conflict of interest.

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Copyright information

© Springer Nature B.V. 2019

Authors and Affiliations

  1. 1.Shenzhen Graduate SchoolHarbin Institute of TechnologyShenzhenChina

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