Mostrar el registro sencillo del ítem
dc.contributor.author
Szybisz, Leszek
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.contributor.author
Sartarelli, Salvador A.
dc.contributor.author
Urrutia, Ignacio
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.date.available
2019-12-18T15:36:11Z
dc.date.issued
2018-10
dc.identifier.citation
Szybisz, Leszek; Sartarelli, Salvador A.; Urrutia, Ignacio; Adsorption of Ne on a planar solid Mg surface revisited; Pergamon-Elsevier Science Ltd; Journal of Physics and Chemistry of Solids; 121; 10-2018; 386-395
dc.identifier.issn
0022-3697
dc.identifier.uri
http://hdl.handle.net/11336/92482
dc.description.abstract
In this study, we reexamined the wetting behavior of Ne adsorbed on a solid Mg surface. In a recent study, Zhou and Zhang (J. Phys. Chem. Solids, 2017, 103, 123) reported an investigation of this system. They proposed an adsorption potential, ϕ ext (z), and studied this system based on augmented density functional theory (DFT) to determine the wetting temperature T w and critical prewetting temperature T cpw . The value obtained for T cpw differed greatly from that produced by Grand Canonical Monte Carlo simulations (Phys. Rev. E, 1999, 59, 864) and previous DFT calculations (Phys. Rev. E, 2009, 79, 011603). In the present study, we calculated the adsorption isotherms with the Kierlik–Rosinberg DFT for two different external potentials, i.e., the aforementioned ϕ ext (z) and the proposed ab initio Chizmeshya–Cole–Zaremba (CCZ) potential. This study had two main aims. First, we aimed to identify the main sources of the discrepancies between the results obtained by Zhou and Zhang and those produced in other studies. Second, we analyzed the new data computed with the CCZ potential by applying the so-called arc-length continuation method. The new results supported the old ones, yielding more accurate values for both characteristic temperatures and indicating interesting new features of the system. We developed a novel alternative procedure for determining an appropriate value of T cpw for moderately strong adsorbers. Assuming that Ne is liquid in the range of T w ≤ T < Tt, then the DFT calculations were extended into this region. We showed that close to Tt and after the prewetting jump, the growth of the films exhibited a sequence of layering transitions, which originated coalescent prewetting lines.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
Pergamon-Elsevier Science Ltd
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.subject
Adsorption
dc.subject
Wetting
dc.subject
Neon
dc.subject
Magnesium
dc.subject.classification
Física de los Materiales Condensados
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.subject.classification
Ciencias Físicas
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.subject.classification
CIENCIAS NATURALES Y EXACTAS
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.title
Adsorption of Ne on a planar solid Mg surface revisited
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2019-12-16T19:14:25Z
dc.journal.volume
121
dc.journal.pagination
386-395
dc.journal.pais
Países Bajos
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.journal.ciudad
Amsterdam
dc.description.fil
Fil: Szybisz, Leszek. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales. Departamento de Física; Argentina
dc.description.fil
Fil: Sartarelli, Salvador A.. Universidad Nacional de General Sarmiento. Instituto del Desarrollo Humano; Argentina
dc.description.fil
Fil: Urrutia, Ignacio. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Constituyentes; Argentina
dc.journal.title
Journal of Physics and Chemistry of Solids
![Se ha confirmado la validez de este valor de autoridad por un usuario](/themes/CONICETDigital/images/authority_control/invisible.gif)
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://linkinghub.elsevier.com/retrieve/pii/S0022369717320851
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1016/j.jpcs.2018.05.016
Archivos asociados