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1. Identity statement
Reference TypeJournal Article
Sitemtc-m21c.sid.inpe.br
Holder Codeisadg {BR SPINPE} ibi 8JMKD3MGPCW/3DT298S
Identifier8JMKD3MGP3W34R/44JPCGP
Repositorysid.inpe.br/mtc-m21c/2021/04.29.12.08   (restricted access)
Last Update2021:06.17.14.45.38 (UTC) simone
Metadata Repositorysid.inpe.br/mtc-m21c/2021/04.29.12.08.28
Metadata Last Update2022:04.03.23.14.31 (UTC) administrator
DOI10.1103/PhysRevMaterials.5.034004
ISSN2475-9953
Citation KeyElderAcHeGrYiAl:2021:MoBuTo
TitleModeling buckling and topological defects in stacked two-dimensional layers of graphene and hexagonal boron nitride
Year2021
MonthMar.
Access Date2024, May 09
Type of Workjournal article
Secondary TypePRE PI
Number of Files1
Size6829 KiB
2. Context
Author1 Elder, K. R.
2 Achim, C. V.
3 Heinonen, V.
4 Granato, Enzo
5 Ying, S. C.
6 Ala-Nissila, T.
Resume Identifier1
2
3
4 8JMKD3MGP5W/3C9JH2J
ORCID1 0000-0001-9265-2476
2
3
4 0000-0001-7669-6292
5 0000-0003-1528-9436
Group1
2
3
4 COPDT-CGIP-INPE-MCTI-GOV-BR
Affiliation1 Oakland University
2 Aalto University School of Science
3 Massachusetts Institute of Technology
4 Instituto Nacional de Pesquisas Espaciais (INPE)
5 Brown University
6 Aalto University School of Science
Author e-Mail Address1
2
3
4 enzograna@gmail.com
JournalPhysical Review Materials
Volume5
Number3
Pagese034004
History (UTC)2021-06-17 14:45:38 :: simone -> administrator :: 2021
2022-04-03 23:14:31 :: administrator -> simone :: 2021
3. Content and structure
Is the master or a copy?is the master
Content Stagecompleted
Transferable1
Content TypeExternal Contribution
Version Typepublisher
AbstractIn this paper, a two-dimensional phase field crystal model of graphene and hexagonal boron nitride (hBN) is extended to include out-of-plane deformations in stacked multilayer systems. As proof of principle, the model is shown analytically to reduce to standard models of flexible sheets in the small deformation limit. Applications to strained sheets, dislocation dipoles, and grain boundaries are used to validate the behavior of a single flexible graphene layer. For multilayer systems, parameters are obtained to match existing theoretical density functional theory calculations for graphene/graphene, hBN/hBN, and graphene/hBN bilayers. More precisely, it is shown that the parameters can be chosen to closely match the stacking energies and layer spacing calculated by Zhou et al. [Phys. Rev. B 92, 155438 (2015)PRBMDO1098-012110.1103/PhysRevB.92.155438]. Further validation of the model is presented in a study of rotated graphene bilayers and stacking boundaries. The flexibility of the model is illustrated by simulations that highlight the impact of complex microstructures in one layer on the other layer in a graphene/graphene bilayer.
AreaFISMAT
Arrangementurlib.net > BDMCI > Fonds > Produção a partir de 2021 > CGIP > Modeling buckling and...
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4. Conditions of access and use
Languageen
Target Fileelder_modeling.pdf
User Groupsimone
Reader Groupadministrator
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Visibilityshown
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Update Permissionnot transferred
5. Allied materials
Next Higher Units8JMKD3MGPCW/46KUES5
Citing Item Listsid.inpe.br/bibdigital/2022/04.03.23.11 4
sid.inpe.br/mtc-m21/2012/07.13.14.45.25 1
DisseminationSCOPUS
Host Collectionurlib.net/www/2017/11.22.19.04
6. Notes
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