eprintid: 3027
rev_number: 8
eprint_status: archive
userid: 72
dir: disk0/00/00/30/27
datestamp: 2016-01-20 15:45:46
lastmod: 2016-04-06 09:41:29
status_changed: 2016-01-20 15:45:46
type: article
metadata_visibility: show
creators_name: Budarapu, Pattabhi R.
creators_name: Javvaji, Brahmanandam
creators_name: Sutrakar, V. K.
creators_name: Roy Mahapatra, D.
creators_name: Zi, Goangseup
creators_name: Rabczuk, Timon
creators_id: pattabhi.budarapu@imtlucca.it
creators_id: 
creators_id: 
creators_id: 
creators_id: 
creators_id: 
title: Crack propagation in graphene
ispublished: pub
subjects: QC
divisions: CSA
full_text_status: none
abstract: The crack initiation and growth mechanisms in an 2D graphene lattice structure are studied based on molecular dynamics simulations. Crack growth in an initial edge crack model in the arm-chair and the zig-zag lattice configurations of graphene are considered. Influence of the time steps on the post yielding behaviour of graphene is studied. Based on the results, a time step of 0.1 fs is recommended for consistent and accurate simulation of crack propagation. Effect of temperature on the crack propagation in graphene is also studied, considering adiabatic and isothermal conditions. Total energy and stress fields are analyzed. A systematic study of the bond stretching and bond reorientation phenomena is performed, which shows that the crack propagates after significant bond elongation and rotation in graphene. Variation of the crack speed with the change in crack length is estimated.
date: 2015
date_type: published
publication: Journal of Applied Physics
volume: 118
number: 6
pagerange: 064307
id_number: dx.doi.org/10.1063/1.4928316
refereed: TRUE
issn: 0021-8979
official_url: http://scitation.aip.org/content/aip/journal/jap/118/6/10.1063/1.4928316
related_url_url: http://scitation.aip.org/content/aip/journal/jap/118/6/10.1063/1.4928316
related_url_type: pub
citation:   Budarapu, Pattabhi R. and Javvaji, Brahmanandam and Sutrakar, V. K. and Roy Mahapatra, D. and Zi, Goangseup and Rabczuk, Timon  Crack propagation in graphene.  Journal of Applied Physics, 118 (6).  064307.  ISSN 0021-8979      (2015)