Formation of a Very High-Density Amorphous Phase of Carbon and Its Crystallization into a Simple Cubic Structure at High Pressure

dc.contributor.author Durandurdu, M.
dc.date.accessioned 2022-02-16T09:02:26Z
dc.date.available 2022-02-16T09:02:26Z
dc.date.issued 2021 en_US
dc.date.issued 2021
dc.description.abstract We report a direct computational evidence of a two-step transformation sequence for tetrahedral amorphous carbon (ta-C) with increasing pressure. First, ta-C gradually transforms into a very high-density amorphous phase (VHDA) phase. Second, the VDHA phase converts into a simple cubic (SC) crystal. The structural defects formed during the high-pressure treatment play important roles for the formation and stabilization of the SC structure, rather than favorable the SC4 crystal. These phase transformations are reversible. © 2021 Elsevier B.V., All rights reserved. en_US
dc.description.sponsorship Abdullah G?l University Support Foundation; Abdullah Gül University Support Foundation
dc.description.sponsorship This work was supported by the Abdullah Gul University Support Foundation. The calculations were partially run on TUB.ITAK ULAKB.IM, High Performance and Grid Computing Center (TRUBA resources).
dc.description.sponsorship Abdullah Gul University Support Foundation
dc.identifier.doi 10.1016/j.commatsci.2021.110822
dc.identifier.issn 0927-0256
dc.identifier.issn 1879-0801
dc.identifier.scopus 2-s2.0-85113517094
dc.identifier.uri https://doi.org/10.1016/j.commatsci.2021.110822
dc.language.iso en en_US
dc.publisher Elsevier B.V. en_US
dc.relation.ispartof Computational Materials Science en_US
dc.relation.isversionof 10.1016/j.commatsci.2021.110822 en_US
dc.rights info:eu-repo/semantics/closedAccess en_US
dc.subject Amorphous en_US
dc.subject Phase Transformation en_US
dc.subject Polyamorphism en_US
dc.title Formation of a Very High-Density Amorphous Phase of Carbon and Its Crystallization into a Simple Cubic Structure at High Pressure en_US
dc.type Article en_US
dspace.entity.type Publication
gdc.author.institutional Durandurdu, M.
gdc.author.scopusid 12244741000
gdc.author.wosid Durandurdu, Murat/ABI-4068-2020
gdc.bip.impulseclass C5
gdc.bip.influenceclass C5
gdc.bip.popularityclass C4
gdc.coar.access metadata only access
gdc.coar.type text::journal::journal article
gdc.collaboration.industrial false
gdc.description.department AGÜ, Mühendislik Fakültesi, Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü en_US
gdc.description.departmenttemp [Durandurdu] Murat, Department of Nanotechnology Engineering, Abdullah Gül Üniversitesi, Kayseri, Turkey, Department of Physical and Macromolecular Chemistry, Charles University, Prague, Czech Republic en_US
gdc.description.publicationcategory Makale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı en_US
gdc.description.scopusquality Q2
gdc.description.volume 200 en_US
gdc.description.woscitationindex Science Citation Index Expanded
gdc.description.wosquality Q2
gdc.identifier.openalex W3196399539
gdc.identifier.wos WOS:000704002800002
gdc.index.type WoS
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gdc.oaire.isgreen false
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gdc.oaire.sciencefields 0103 physical sciences
gdc.oaire.sciencefields 02 engineering and technology
gdc.oaire.sciencefields 0210 nano-technology
gdc.oaire.sciencefields 01 natural sciences
gdc.openalex.collaboration International
gdc.openalex.fwci 0.2366
gdc.openalex.normalizedpercentile 0.45
gdc.opencitations.count 5
gdc.plumx.crossrefcites 1
gdc.plumx.mendeley 7
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gdc.virtual.author Durandurdu, Murat
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