Inverse Pseudo Hall-Petch Relation in Polycrystalline Graphene

Understanding the grain size-dependent failure behavior of polycrystalline graphene is important for its applications both structurally and functionally. Here we perform molecular dynamics simulations to study the failure behavior of polycrystalline graphene by varying both grain size and distributi...

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Main Authors:	Sha, Z. D., Quek, S. S., Pei, Q. X., Liu, Z. S., Wang, T. J., Shenoy, V. B., Zhang, Y. W.
Format:	Online
Language:	English
Published:	Nature Publishing Group 2014
Online Access:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4125985/

id	pubmed-4125985
recordtype	oai_dc
spelling	pubmed-41259852014-08-14 Inverse Pseudo Hall-Petch Relation in Polycrystalline Graphene Sha, Z. D. Quek, S. S. Pei, Q. X. Liu, Z. S. Wang, T. J. Shenoy, V. B. Zhang, Y. W. Article Understanding the grain size-dependent failure behavior of polycrystalline graphene is important for its applications both structurally and functionally. Here we perform molecular dynamics simulations to study the failure behavior of polycrystalline graphene by varying both grain size and distribution. We show that polycrystalline graphene fails in a brittle mode and grain boundary junctions serve as the crack nucleation sites. We also show that its breaking strength and average grain size follow an inverse pseudo Hall-Petch relation, in agreement with experimental measurements. Further, we find that this inverse pseudo Hall-Petch relation can be naturally rationalized by the weakest-link model, which describes the failure behavior of brittle materials. Our present work reveals insights into controlling the mechanical properties of polycrystalline graphene and provides guidelines for the applications of polycrystalline graphene in flexible electronics and nano-electronic-mechanical devices. Nature Publishing Group 2014-08-08 /pmc/articles/PMC4125985/ /pubmed/25103818 http://dx.doi.org/10.1038/srep05991 Text en Copyright © 2014, Macmillan Publishers Limited. All rights reserved http://creativecommons.org/licenses/by-nc-sa/4.0/ This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License. The images or other third party material in this article are included in the article's Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder in order to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by-nc-sa/4.0/
repository_type	Open Access Journal
institution_category	Foreign Institution
institution	US National Center for Biotechnology Information
building	NCBI PubMed
collection	Online Access
language	English
format	Online
author	Sha, Z. D. Quek, S. S. Pei, Q. X. Liu, Z. S. Wang, T. J. Shenoy, V. B. Zhang, Y. W.
spellingShingle	Sha, Z. D. Quek, S. S. Pei, Q. X. Liu, Z. S. Wang, T. J. Shenoy, V. B. Zhang, Y. W. Inverse Pseudo Hall-Petch Relation in Polycrystalline Graphene
author_facet	Sha, Z. D. Quek, S. S. Pei, Q. X. Liu, Z. S. Wang, T. J. Shenoy, V. B. Zhang, Y. W.
author_sort	Sha, Z. D.
title	Inverse Pseudo Hall-Petch Relation in Polycrystalline Graphene
title_short	Inverse Pseudo Hall-Petch Relation in Polycrystalline Graphene
title_full	Inverse Pseudo Hall-Petch Relation in Polycrystalline Graphene
title_fullStr	Inverse Pseudo Hall-Petch Relation in Polycrystalline Graphene
title_full_unstemmed	Inverse Pseudo Hall-Petch Relation in Polycrystalline Graphene
title_sort	inverse pseudo hall-petch relation in polycrystalline graphene
description	Understanding the grain size-dependent failure behavior of polycrystalline graphene is important for its applications both structurally and functionally. Here we perform molecular dynamics simulations to study the failure behavior of polycrystalline graphene by varying both grain size and distribution. We show that polycrystalline graphene fails in a brittle mode and grain boundary junctions serve as the crack nucleation sites. We also show that its breaking strength and average grain size follow an inverse pseudo Hall-Petch relation, in agreement with experimental measurements. Further, we find that this inverse pseudo Hall-Petch relation can be naturally rationalized by the weakest-link model, which describes the failure behavior of brittle materials. Our present work reveals insights into controlling the mechanical properties of polycrystalline graphene and provides guidelines for the applications of polycrystalline graphene in flexible electronics and nano-electronic-mechanical devices.
publisher	Nature Publishing Group
publishDate	2014
url	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4125985/
_version_	1613122305817313280

Inverse Pseudo Hall-Petch Relation in Polycrystalline Graphene

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