eprintid: 3617
rev_number: 7
eprint_status: archive
userid: 56
dir: disk0/00/00/36/17
datestamp: 2016-12-27 09:06:58
lastmod: 2016-12-27 09:06:58
status_changed: 2016-12-27 09:06:58
type: article
metadata_visibility: show
creators_name: Javvaji, Brahmanandam
creators_name: Budarapu, Pattabhi R.
creators_name: Sutrakar, V. K.
creators_name: Mahapatra, D. Roy
creators_name: Paggi, Marco
creators_name: Zi, Goangseup
creators_name: Rabczuk, Timon
creators_id: 
creators_id: pattabhi.budarapu@imtlucca.it
creators_id: 
creators_id: 
creators_id: marco.paggi@imtlucca.it
creators_id: 
creators_id: 
title: Mechanical properties of Graphene: Molecular dynamics simulations correlated to continuum based scaling laws
ispublished: pub
subjects: TA
divisions: CSA
full_text_status: none
keywords: Graphene fracture; Molecular dynamics; Size-scale effects; Size effect law; Multifractal scaling law; Lattice orientation effect
note: SCOPUS ID: 2-s2.0-84987973879
abstract: In this paper, the combined effect of domain size, lattice orientation and crack length on the mechanical properties of Graphene, namely the yield strength and strain, are studied extensively based on molecular dynamics simulations. Numerical predictions are compared with the continuum-based laws of size effect and multifractal scaling. The yield strength is found to vary with the specimen size as ≈L^{−1/3}, which is in agreement with the multifractal scaling law, and with the inverse square of the initial crack length as ≈a^{-1/2}, according to the Griffith’s energy criterion for fracture.
date: 2016-12-01
date_type: published
publication: Computational Materials Science
volume: 125
publisher: Elsevier
pagerange: 319-326
id_number: 10.1016/j.commatsci.2016.08.016
refereed: TRUE
issn: 0927-0256
related_url_url: http://dx.doi.org/10.1016/j.commatsci.2016.08.016
related_url_type: pub
funders: European Research Council
projects: ERC StG CA2PVM 306622
citation:   Javvaji, Brahmanandam and Budarapu, Pattabhi R. and Sutrakar, V. K. and Mahapatra, D. Roy and Paggi, Marco and Zi, Goangseup and Rabczuk, Timon  Mechanical properties of Graphene: Molecular dynamics simulations correlated to continuum based scaling laws.  Computational Materials Science, 125.  pp. 319-326.  ISSN 0927-0256      (2016)