relation: http://eprints.imtlucca.it/3617/
title: Mechanical properties of Graphene: Molecular dynamics simulations correlated to continuum based scaling laws
creator: Javvaji, Brahmanandam
creator: Budarapu, Pattabhi R.
creator: Sutrakar, V. K.
creator: Mahapatra, D. Roy
creator: Paggi, Marco
creator: Zi, Goangseup
creator: Rabczuk, Timon
subject: TA Engineering (General). Civil engineering (General)
description: 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.
publisher: Elsevier
date: 2016-12-01
type: Article
type: PeerReviewed
identifier:   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)  
relation: 10.1016/j.commatsci.2016.08.016