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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Torsional ``superplasticity{''} of graphyne nanotubes

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de Sousa, J. M. [1] ; Brunetto, G. [1] ; Coluci, V. R. [2] ; Galvao, D. S. [1]
Total Authors: 4
[1] Univ Estadual Campinas, Dept Appl Phys, BR-13083970 Campinas, SP - Brazil
[2] State Univ Campinas UNICAMP, Sch Technol, BR-13484332 Limeira, SP - Brazil
Total Affiliations: 2
Document type: Journal article
Source: Carbon; v. 96, p. 14-19, JAN 2016.
Web of Science Citations: 12

Graphyne is a planar two-dimensional carbon allotrope formed by atoms in sp, sp(2), and sp(3) hybridized states. Topologically graphyne nanotubes (GNTs) can be considered as cylindrically rolled up graphyne sheets, similarly as carbon nanotubes (CNTs) can be considered rolled up graphene sheets. Due to the presence of single, double, and triple bonds, GNTs exhibit porous sidewalls that can be exploited in many diverse applications. In this work, we investigated the mechanical behavior of GNTs under torsional strains through reactive molecular dynamics simulations. Our results show that GNTs are more flexible than CNTs and exhibit ``superplasticit{''}, with fracture angles that are up to 35 times higher than the ones reported to CNTs. This GNT ``superplastic{''} behavior can be explained in terms of irreversible reconstruction processes (mainly associated with the triple bonds) that occur during torsional strains. (C) 2015 Elsevier Ltd. All rights reserved. (AU)

FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
Grantee:Munir Salomao Skaf
Support type: Research Grants - Research, Innovation and Dissemination Centers - RIDC