Atomistic simulation of the uniaxial compression of black phosphorene nanotubes

Van-Trang Nguyen, Minh-Quy Le
Author affiliations

Authors

  • Van-Trang Nguyen Thai Nguyen University of Technology, Thai Nguyen city, Vietnam
  • Minh-Quy Le Hanoi University of Science and Technology, Vietnam

DOI:

https://doi.org/10.15625/0866-7136/10982

Keywords:

atomistic simulation, compression, mechanical properties, phosphorene nanotubes

Abstract

We study through molecular dynamics finite element method with Stillinger-Weber potential the uniaxial compression of (0, 24) armchair and (31, 0) zigzag black phosphorene nanotubes with approximately equal diameters. Young's modulus, critical stress and critical strain are estimated with various tube lengths. It is found that under uniaxial compression the (0, 24) armchair black phosphorene nanotube buckles, whereas the failure of the (31, 0) zigzag one is caused by local bond breaking near the boundary.

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References

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Published

24-09-2018

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Research Article

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