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dc.creatorSingh, Sandeep Kumar-
dc.creatorNeek Amal, M.-
dc.creatorCostamagna, Sebastian-
dc.creatorPeeters, F. M.-
dc.date2016-05-30T20:24:29Z-
dc.date2016-05-30T20:24:29Z-
dc.date2013-05-
dc.date2016-05-27T19:42:23Z-
dc.date.accessioned2019-04-29T15:35:45Z-
dc.date.available2019-04-29T15:35:45Z-
dc.date.issued2016-05-30T20:24:29Z-
dc.date.issued2016-05-30T20:24:29Z-
dc.date.issued2013-05-
dc.date.issued2016-05-27T19:42:23Z-
dc.identifierSingh, Sandeep Kumar; Neek Amal, M.; Costamagna, Sebastian; Peeters, F. M.; Thermomechanical properties of a single hexagonal boron nitride sheet; American Physical Society; Physical Review B: Condensed Matter And Materials Physics; 87; 18; 5-2013; 184106-184106-
dc.identifier1098-0121-
dc.identifierhttp://hdl.handle.net/11336/5916-
dc.identifier.urihttp://rodna.bn.gov.ar:8080/jspui/handle/bnmm/297407-
dc.descriptionUsing atomistic simulations we investigate the thermodynamical properties of a single atomic layer of hexagonal boron nitride (h-BN). The thermal induced ripples, heat capacity, and thermal lattice expansion of large scale h-BN sheets are determined and compared to those found for graphene (GE) for temperatures up to 1000 K. By analyzing the mean square height fluctuations and the height-height correlation function H(q) we found that the h-BN sheet is a less stiff material as compared to graphene. The bending rigidity of h-BN: i) is about 16% smaller than the one of GE at room temperature (300 K), and ii) increases with temperature as in GE. The difference in stiffness between h-BN and GE results in unequal responses to external uniaxial and shear stress and different buckling transitions. In contrast to a GE sheet, the buckling transition of a h-BN sheet depends strongly on the direction of the applied compression. The molar heat capacity, thermal expansion coefficient and the Gruneisen parameter are estimated to be 25.2 J mol−1 K−1 , 7.2×10−6 K−1 and 0.89, respectively.-
dc.descriptionFil: Singh, Sandeep Kumar. University of Antwerp. Department of Physics; Bélgica-
dc.descriptionFil: Neek Amal, M.. University of Antwerp. Department of Physics; Bélgica. Shahid Rajaee University. Department of Physics; Irán-
dc.descriptionFil: Costamagna, Sebastian. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Física de Rosario (i); Argentina. University of Antwerp. Department of Physics; Bélgica. Universidad Nacional de Rosario. Facultad de Ciencias Exactas, Ingeniería y Agrimensura; Argentina-
dc.descriptionFil: Peeters, F. M.. University of Antwerp. Department of Physics; Bélgica-
dc.formatapplication/pdf-
dc.formatapplication/pdf-
dc.languageeng-
dc.publisherAmerican Physical Society-
dc.relationinfo:eu-repo/semantics/altIdentifier/url/http://journals.aps.org/prb/abstract/10.1103/PhysRevB.87.184106-
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1103/PhysRevB.87.184106-
dc.relationinfo:eu-repo/semantics/altIdentifier/doi/10.1103/PhysRevB.87.184106-
dc.relationinfo:eu-repo/semantics/altIdentifier/url/http://arxiv.org/abs/1304.5972v1-
dc.relationinfo:eu-repo/semantics/altIdentifier/arxiv/1304.5972v1-
dc.rightsinfo:eu-repo/semantics/restrictedAccess-
dc.rightshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/-
dc.sourcereponame:CONICET Digital (CONICET)-
dc.sourceinstname:Consejo Nacional de Investigaciones Científicas y Técnicas-
dc.sourceinstacron:CONICET-
dc.subject2D materials-
dc.subjectMechanical properties-
dc.subjectThermal properties-
dc.subjectMolecular dynamics-
dc.subjectFísica de los Materiales Condensados-
dc.subjectCiencias Físicas-
dc.subjectCIENCIAS NATURALES Y EXACTAS-
dc.titleThermomechanical properties of a single hexagonal boron nitride sheet-
dc.typeinfo:eu-repo/semantics/article-
dc.typeinfo:eu-repo/semantics/publishedVersion-
dc.typeinfo:ar-repo/semantics/articulo-
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