On the elastic properties of single-walled phagraphene nanotubes
ML Pereira and JM De Sousa and WHS Brandao and AL Aguiar and RA Bizao and LA Ribeiro and DS Galvao, CHEMICAL PHYSICS LETTERS, 756, 137830 (2020).
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% and 20%. For the ultimate strength values, CNTs present values about 30% higher than the corresponding ones for PhaNTs.
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