Vol. 10, No. 3, 2015

Download this article
Download this article For screen
For printing
Recent Issues

Volume 12
Issue 3, 249–351
Issue 2, 147–247
Issue 1, 1–146

Volume 11, 5 issues

Volume 10, 5 issues

Volume 9, 5 issues

Volume 8, 8 issues

Volume 7, 10 issues

Volume 6, 9 issues

Volume 5, 6 issues

Volume 4, 10 issues

Volume 3, 10 issues

Volume 2, 10 issues

Volume 1, 8 issues

The Journal
Subscriptions
Editorial Board
Research Statement
Scientific Advantage
Submission Guidelines
Submission Form
Author Index
To Appear
 
ISSN: 1559-3959
Stability of discrete topological defects in graphene

Maria Pilar Ariza and Juan Pedro Mendez

Vol. 10 (2015), No. 3, 239–253
DOI: 10.2140/jomms.2015.10.239
Abstract

While improving graphene production techniques seems to be critical for the successful development of practical graphene-based devices, another technological bottleneck stems from the fact that not all mechanisms controlling the coupled thermal-mechanical-electrical behavior of graphene-based materials are fully known at present. In this work, we specifically aim to propose a methodology to investigate the behavior of controlled distributions of point defects in graphene. We present a bondwise force-constant model derived from the adaptive intermolecular reactive empirical bond-order (AIREBO) potential and compare the force-constant values with those obtained from other interatomic potentials. In addition, we present a particular computational scheme that, while preserving the advantages of discrete dislocation theory, allows the assessment of the stability of discrete defects. In particular, we study two dislocation dipole configurations: glide and shuffle.

Keywords
graphene, discrete dislocations, AIREBO potential, defects
Milestones
Received: 4 June 2014
Accepted: 25 December 2014
Published: 26 August 2015
Authors
Maria Pilar Ariza
Escuela Técnica Superior de Ingeniería
Universidad de Sevilla
Camino de los Descubrimientos, s/n
41092 Sevilla
Spain
Juan Pedro Mendez
Escuela Técnica Superior de Ingeniería
Universidad de Sevilla
Camino de los Descubrimientos, s/n
41092 Sevilla
Spain