On the Elastic Properties of Single-Walled Phagraphene Nanotubes

M. L. Pereira Junior; J. M. De Sousa; W. H. S. Brandão; A. L. Aguiar; R. A. Bizão; L. A. Ribeiro Junior; D. S. Galvão

doi:10.1016/j.cplett.2020.137830

On the Elastic Properties of Single-Walled Phagraphene Nanotubes

Materials Science 2020-10-01 v2

Authors: M. L. Pereira Junior , J. M. De Sousa , W. H. S. Brandão , A. L. Aguiar , R. A. Bizão , L. A. Ribeiro Junior , D. S. Galvão

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Abstract

Phagraphene (PhaG) is a quasi-planar 2D structure composed of $5-6-7$ ring sequence. We have investigated the structural and mechanical properties of phagraphene nanotubes (PhaNTs) through fully atomistic reactive molecular dynamics (MD) simulations. For comparison purposes, the results were also contrasted to similar carbon nanotubes (CNTs). Results showed that PhaNTs and CNTs present similar brittle fracture mechanisms. The Young's modulus values obtained for PhaNTs were smaller than the corresponding ones for CNTs. Both, PhaNTs and CNTs, present equivalent fracture strains ranging between 15\%-20\%. For the ultimate strength values, CNTs present values about 30\% higher than the corresponding ones for PhaNTs.

Keywords

phagraphene nanotube young's modulus fracture strain ultimate strength molecular dynamics

Cite

@article{arxiv.2007.01728,
  title  = {On the Elastic Properties of Single-Walled Phagraphene Nanotubes},
  author = {M. L. Pereira Junior and J. M. De Sousa and W. H. S. Brandão and A. L. Aguiar and R. A. Bizão and L. A. Ribeiro Junior and D. S. Galvão},
  journal= {arXiv preprint arXiv:2007.01728},
  year   = {2020}
}

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11 pages and 04 pages

On the Elastic Properties of Single-Walled Phagraphene Nanotubes

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