dc.creator | Rull Fernández, Luis Felipe | es |
dc.creator | Romero Enrique, José Manuel | es |
dc.creator | Fernández Nieves, A. | es |
dc.date.accessioned | 2016-04-04T09:39:04Z | |
dc.date.available | 2016-04-04T09:39:04Z | |
dc.date.issued | 2012 | |
dc.identifier.citation | Rull Fernández, L.F., Romero Enrique, J.M. y Fernández Nieves, A. (2012). Computer simulations of nematic drops: Coupling between drop shape and nematic order. The Journal of Chemical Physics, 137 (3), 034505-1-034505-7. | |
dc.identifier.issn | 1089-7690 | es |
dc.identifier.uri | http://hdl.handle.net/11441/39398 | |
dc.description.abstract | We perform Monte Carlo computer simulations of nematic drops in equilibrium with their vapor
using a Gay-Berne interaction between the rod-like molecules. To generate the drops, we initially
perform NPT simulations close to the nematic-vapor coexistence region, allow the system to equilibrate
and subsequently induce a sudden volume expansion, followed with NVT simulations. The
resultant drops coexist with their vapor and are generally not spherical but elongated, have the rodlike
particles tangentially aligned at the surface and an overall nematic orientation along the main
axis of the drop. We find that the drop eccentricity increases with increasing molecular elongation,
κ. For small κ the nematic texture in the drop is bipolar with two surface defects, or boojums, maximizing
their distance along this same axis. For sufficiently high κ, the shape of the drop becomes
singular in the vicinity of the defects, and there is a crossover to an almost homogeneous texture; this
reflects a transition from a spheroidal to a spindle-like drop | es |
dc.format | application/pdf | es |
dc.language.iso | eng | es |
dc.publisher | AIP Publishing | es |
dc.relation.ispartof | The Journal of Chemical Physics, 137 (3), 034505-1-034505-7. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Computer simulations of nematic drops: Coupling between drop shape and nematic order | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
dc.type.version | info:eu-repo/semantics/publishedVersion | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Física Atómica, Molecular y Nuclear | es |
dc.relation.publisherversion | 10.1063/1.4733974 | es |
dc.relation.publisherversion | http://dx.doi.org/10.1063/1.4733974 | es |
dc.identifier.doi | 10.1063/1.4733974 | es |
dc.journaltitle | The Journal of Chemical Physics | es |
dc.publication.volumen | 137 | es |
dc.publication.issue | 3 | es |
dc.publication.initialPage | 034505-1 | es |
dc.publication.endPage | 034505-7 | es |
dc.identifier.idus | https://idus.us.es/xmlui/handle/11441/39398 | |