dc.creator | Morales, Juan J. | es |
dc.creator | Nuevo, María J. | es |
dc.creator | Rull Fernández, Luis Felipe | es |
dc.date.accessioned | 2017-04-19T11:21:01Z | |
dc.date.available | 2017-04-19T11:21:01Z | |
dc.date.issued | 1993 | |
dc.identifier.citation | Morales, J.J., Nuevo, M.J. y Rull Fernández, L.F. (1993). Molecular-dynamics ensembles: Fluctuations and correlations near the phase transitions. Physical Review B-Condensed Matter, 48 (13), 9216-9222. | |
dc.identifier.issn | 0163-1829 | es |
dc.identifier.uri | http://hdl.handle.net/11441/57891 | |
dc.description.abstract | Computer simulations of liquid and solid systems very close to the melting-freezing transition zone have been performed for the microcanonical, canonical, and isothermal-isobaric molecular-dynamics ensembles. Temperature, pressure, and density fluctuations were studied over long evolution times, and graphical and analytical statistical-error methods were used to investigate correlations in the data. The Nosé-Hoover (NH) method combined with the Toxvaerd algorithm is proposed as a correct method of obtaining the true fluctuation and correlation of the thermodynamic variables in the system, because the temperature and/or pressure constraints in the NH method do not affect the dynamical evolution of the system, and because the fifth-order Toxvaerd algorithm gives very accurate behavior for the correlations, as has been shown in recent studies. | es |
dc.description.sponsorship | Comisión Interministerial de Ciencia y Tecnología PB92-0523 | es |
dc.format | application/pdf | es |
dc.language.iso | eng | es |
dc.publisher | American Institute of Physics Publising LLC | es |
dc.relation.ispartof | Physical Review B-Condensed Matter, 48 (13), 9216-9222. | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.title | Molecular-dynamics ensembles: Fluctuations and correlations near the phase transitions | 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.projectID | PB92-0523 | es |
dc.relation.publisherversion | http://dx.doi.org/10.1103/PhysRevB.48.9216 | es |
dc.identifier.doi | 10.1103/PhysRevB.48.9216 | es |
idus.format.extent | 7 p. | es |
dc.journaltitle | Physical Review B-Condensed Matter | es |
dc.publication.volumen | 48 | es |
dc.publication.issue | 13 | es |
dc.publication.initialPage | 9216 | es |
dc.publication.endPage | 9222 | es |
dc.contributor.funder | Comisión Interministerial de Ciencia y Tecnología (CICYT). España | |