Skip navigation
Skip navigation

Ultimate strength, ripples, sound velocities, and density of phonon states of strained grapheme

Dmitriev, Sergey V; Baimova, Julia A; Savin, Alexander V; Kivshar, Yuri

Description

We study the dispersion characteristics of strained graphene using many-body interatomic potentials and find: (i) borders of the structural stability of a flat graphene in the three-dimensional space of the strain components ( xx, yy, xy); (ii) sound velocities of strained graphene; and (iii) phonon density of states (DOS) of strained graphene. The border of structural stability of flat graphene is also presented in the space of components of normal and shear membrane forces (T x, T y, T xy)....[Show more]

dc.contributor.authorDmitriev, Sergey V
dc.contributor.authorBaimova, Julia A
dc.contributor.authorSavin, Alexander V
dc.contributor.authorKivshar, Yuri
dc.date.accessioned2015-12-10T22:41:17Z
dc.identifier.issn0927-0256
dc.identifier.urihttp://hdl.handle.net/1885/57829
dc.description.abstractWe study the dispersion characteristics of strained graphene using many-body interatomic potentials and find: (i) borders of the structural stability of a flat graphene in the three-dimensional space of the strain components ( xx, yy, xy); (ii) sound velocities of strained graphene; and (iii) phonon density of states (DOS) of strained graphene. The border of structural stability of flat graphene is also presented in the space of components of normal and shear membrane forces (T x, T y, T xy). We find that flat graphene is structurally stable under elastic strain up to 0.3-0.4, but it becomes unstable to a shear strain in the absence of tensile components of strain. Also graphene cannot remain flat under compressive membrane forces because its bending stiffness vanishes. We employ the molecular dynamics simulations to study the post-critical behavior of graphene. We demonstrate that ripples with controllable amplitude and orientation can be generated under simultaneous action of shear and tensile membrane forces. Gaps in the phonon DOS are observed when graphene is strained close to the appearance of ripples. Sound velocities of unstrained graphene do not depend on the propagation direction but application of strain makes graphene anisotropic. One of the sound velocities vanishes at the border of the structural stability of graphene meaning that vanishing of sound velocity (or corresponding elastic constant) predicts impending instability.
dc.publisherElsevier
dc.sourceComputational Materials Science
dc.subjectKeywords: Phonon density of states; Phonon spectrum; Ripples; Sound velocities; Structural stabilities; Acoustic wave velocity; Dynamics; Molecular dynamics; Phonons; Shear strain; Stability; Graphene Graphene; Molecular dynamics; Phonon density of states; Phonon spectrum; Ripples; Sound velocity; Structural stability
dc.titleUltimate strength, ripples, sound velocities, and density of phonon states of strained grapheme
dc.typeJournal article
local.description.notesImported from ARIES
local.identifier.citationvolume53
dc.date.issued2012
local.identifier.absfor020501 - Classical and Physical Optics
local.identifier.ariespublicationu9201385xPUB416
local.type.statusPublished Version
local.contributor.affiliationDmitriev, Sergey V, Russian Academy of Sciences
local.contributor.affiliationBaimova, Julia A, Russian Academy of Science
local.contributor.affiliationSavin, Alexander V, Russian Academy of Sciences
local.contributor.affiliationKivshar, Yuri, College of Physical and Mathematical Sciences, ANU
local.description.embargo2037-12-31
local.bibliographicCitation.issue1
local.bibliographicCitation.startpage194
local.bibliographicCitation.lastpage203
local.identifier.doi10.1016/j.commatsci.2011.08.019
local.identifier.absseo970102 - Expanding Knowledge in the Physical Sciences
dc.date.updated2016-02-24T11:51:33Z
local.identifier.scopusID2-s2.0-80054736341
local.identifier.thomsonID000300722900027
CollectionsANU Research Publications

Download

File Description SizeFormat Image
01_Dmitriev_Ultimate_strength,_ripples,_2012.pdf1.29 MBAdobe PDF    Request a copy


Items in Open Research are protected by copyright, with all rights reserved, unless otherwise indicated.

Updated:  19 May 2020/ Responsible Officer:  University Librarian/ Page Contact:  Library Systems & Web Coordinator