Nanoscale fracture of defective popgraphene monolayers

Physical Chemistry Chemical Physics : PCCP
Fanchao MengDong Wei

Abstract

A new carbon allotrope, namely popgraphene, has been recently demonstrated to possess high potentials for nanodevice applications. Herein, the fracture of defective popgraphene was studied using molecular dynamics simulations and continuum modeling. Three scenarios of defects were considered, including an individual point defect, distributed point defects, and nanocracks. It was found that the fracture stress of popgraphene with an individual point defect was governed by both the geometry of the defect and the critical bond where fracture initiates. Moreover, the fracture stress of popgraphene with distributed point defects was discovered to be inversely proportional to the defect density, showing a nice linear trend. Furthermore, for popgraphene with a nanocrack, it failed in a brittle fashion and exhibited a negligible lattice trapping effect. The Griffith criterion was subsequently employed with the consideration of crack deflection to accurately predict the dependence of fracture stress on crack size. The present study lays a mechanistic foundation for nanoscale applications of popgraphene and offers a better understanding of the roles of defects in fracture of low-dimensional materials.

References

Mar 1, 1985·Physical Review A: General Physics·W G Hoover
Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Aug 20, 2004·Nature·Ayako HashimotoSumio Iijima
Aug 4, 2010·Nano Letters·Elad PollakRobert Kostecki
Jul 23, 2011·Nature Materials·Alexander A Balandin
Aug 15, 2012·Nano Letters·Teng ZhangHuajian Gao
Sep 4, 2012·Physical Chemistry Chemical Physics : PCCP·Qing PengSuvranu De
Nov 13, 2012·Nanoscale·Steven W CranfordMarkus J Buehler
Apr 30, 2014·Nature Communications·Peng ZhangJun Lou
Dec 17, 2014·Advanced Materials·Joseph N GrimaJarosław Rybicki
Feb 19, 2015·Nano Letters·Hanqing YinYujie Wei
Jun 9, 2015·Physical Chemistry Chemical Physics : PCCP·Zacharias G Fthenakis, Nektarios N Lathiotakis
Jan 2, 2016·The Journal of Physical Chemistry Letters·Fanchao MengJun Song
Oct 11, 2016·Physical Chemistry Chemical Physics : PCCP·Hao SunChandra Veer Singh
Jun 1, 2017·ACS Applied Materials & Interfaces·David FergusonMarlies Hankel
Jan 2, 2018·Biosensors & Bioelectronics·Yi-Ching KuoChih-Ting Lin
Jun 26, 2018·Physical Chemistry Chemical Physics : PCCP·Jinjin WangWan-Sheng Su
Jul 4, 2018·Physical Chemistry Chemical Physics : PCCP·K KinastowskaM Samoć
Jul 13, 2018·Physical Chemistry Chemical Physics : PCCP·Susumu YamamotoIwao Matsuda

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Citations

Aug 15, 2020·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·Marcelo L Pereira JúniorJosé M de Sousa
Oct 9, 2020·Scientific Reports·Ramiro Marcelo Dos SantosLuiz Antonio Ribeiro Junior
Jan 17, 2021·Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry·W H S BrandãoJ M De Sousa

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Methods Mentioned

BETA
biosensors

Software Mentioned

LAMMPS
popgraphene
SIESTA

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