Classification of functional d-metal/graphene interfaces according to a sorption mechanism and the resistance to thermoactivated disordering and melting. MD simulation / Polukhin V.A., Kurbanova E.D., Galashev A.E. // Russian Metallurgy (Metally). - 2014. - V. 2014, l. 8. - P. 633-646.

ISSN:
00360295
Type:
Article
Abstract:
The thermally activated formation of a two-dimensional ring-cluster phase in the zone of contact of a transition metal (Ni, Pd, Cu) with graphene and its disordering and melting upon heating in the temperature range 850–3900 K are studied by molecular dynamics simulation with a correctly parameterized multiparticle potential. The diffusion mobilities in the interface plane and in the perpendicular direction are comprehensively analyzed with allowance for the character of interparticle interactions and a sorption mechanism, which are considered as the main factors that determine the thermal stability of the interface phase and the specific features of the order-disorder transition (which is an analog of melting in two-dimensional systems). © 2014, Pleiades Publishing, Ltd.
Author keywords:
Index keywords:
Association reactions; Melting; Molecular dynamics; Order disorder transitions; Thermodynamic stability; Transition metals; Diffusion mobility; Inter-particle interaction; Interface planes; Molecular
DOI:
10.1134/S0036029514080102
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https://www.scopus.com/inward/record.uri?eid=2-s2.0-84915793076&doi=10.1134%2fS0036029514080102&partnerID=40&md5=fa35524bcaf5fa306a28d9e18ea212ad
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Affiliations Institute of Material Studies and Metallurgy, Ural Federal University, Yekaterinburg, Russian Federation; Institute of Metallurgy, Ural Branch, Russian Academy of Sciences, Yekaterinburg, Russian Federation
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Correspondence Address Polukhin, V.A.; Institute of Material Studies and Metallurgy, Ural Federal UniversityRussian Federation
Publisher Maik Nauka-Interperiodica Publishing
Language of Original Document English
Abbreviated Source Title Russ. Metall. (Metally)
Source Scopus