Liquid-solid transition of the ferromagnetic Heisenberg fluid: Simulation, density functional, and perturbation theories

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dc.contributor.authorLomba, Enrique
dc.contributor.authorWeis, J. J.
dc.contributor.authorFernández Tejero, Carlos
dc.date.accessioned2023-06-20T18:53:31Z
dc.date.available2023-06-20T18:53:31Z
dc.date.issued1998-09
dc.description© 1998 The American Physical Society. E.L. and J.J.W. would like to thank CNRS/CSIC for financial support under their cooperative research agreement. Computing time on the CRAY C-98 was granted by the Institut de Développement et de Ressources en Informatique (IDRIS). The Laboratoire de Physique Théorique et Hautes Energies is Laboratoire Associée au Center National de la Recherche Scientifique (Grant No. URA 063). E.L. and C.F.T. acknowledge support from the Dirección General de Enseñanza Superior (Spain) under Grant No. PB94-0265.
dc.description.abstractThe fluid-solid equilibrium of a system of hard spheres with embedded classical Heisenberg spins is studied by means of computer simulation and various combinations of density functional theories with the spin-spin contributions treated at the level of first-order perturbation theory. The phase boundaries are determined from the simulation data using free energy calculations in the ferromagnetic and isotropic phases. Estimates of the location of the Curie line in the solid are extracted from inspection of the evolution of magnetization with temperature. The agreement between theory and simulation is relatively good for the ferromagnetic transition and merely qualitative as far as the fluid-solid transition is concerned. The theoretical approach investigated here tends to underestimate the stability of the liquid phase.
dc.description.departmentDepto. de Estructura de la Materia, Física Térmica y Electrónica
dc.description.facultyFac. de Ciencias Físicas
dc.description.refereedTRUE
dc.description.sponsorshipCentre National de la Recherche Scientifique
dc.description.sponsorshipCSIC
dc.description.sponsorshipInstitut de Développement et de Ressources en Informatique (IDRIS)
dc.description.sponsorshipLaboratoire de Physique Théorique et Hautes Energies
dc.description.sponsorshipDirección General de Enseñanza Superior (Spain)
dc.description.statuspub
dc.eprint.idhttps://eprints.ucm.es/id/eprint/23783
dc.identifier.doi10.1103/PhysRevE.58.3426
dc.identifier.issn1063-651X
dc.identifier.officialurlhttp://dx.doi.org/10.1103/PhysRevE.58.3426
dc.identifier.relatedurlhttp://pre.aps.org/
dc.identifier.urihttps://hdl.handle.net/20.500.14352/58871
dc.issue.number3 - Pa
dc.journal.titlePhysical Review E
dc.language.isoeng
dc.page.final3435
dc.page.initial3426
dc.publisherAmerican Physical Society
dc.relation.projectIDURA 063
dc.relation.projectIDPB94-0265
dc.rights.accessRightsrestricted access
dc.subject.cdu536
dc.subject.keywordIsotropic-nematic transition
dc.subject.keywordHard-sphere
dc.subject.keywordInterfacial properties
dc.subject.keywordMonte-Carlo
dc.subject.keywordComputer-simulation
dc.subject.keywordPhase-diagrams
dc.subject.keywordModel
dc.subject.keywordApproximation
dc.subject.keywordSystem
dc.subject.keywordNonuniform
dc.subject.ucmTermodinámica
dc.subject.unesco2213 Termodinámica
dc.titleLiquid-solid transition of the ferromagnetic Heisenberg fluid: Simulation, density functional, and perturbation theories
dc.typejournal article
dc.volume.number58
dcterms.references[1] C. Holm and W. Janke, Phys. Rev. B 48, 936 (1993). [2] K. Chen, A. M. Ferrenberg, and D. P. Landau, Phys. Rev. B 48, 3249 (1993). [3] P. C. Hemmer and D. Imbro, Phys. Rev. E 16, 380 (1977). [4] J. M. Tavares, M. M. Telo da Gama, P. I. C. Teixeira, J. J. Weis, and M. J. P. Nijmeijer, Phys. Rev. E 52, 1915 (1995). [5] J. J. Weis, M. J. P. Nijmeijer, J. M. Tavares, and M. M. Telo da Gama, Phys. Rev. E 55, 436 (1997). [6] M. J. P. Nijmeijer and J. J. Weis, in Annual Reviews of Computational Physics IV, edited by D. Stauffer (World Scientific, Singapore, 1996). [7] E. Lomba, J. J. Weis, N. G. Almarza, F. Bresme, and G. Stell, Phys. Rev. E 49, 5169 (1994). [8] M. J. P. Nijmeijer and J. J. Weis, Phys. Rev. Lett. 75, 2887 (1995); Phys. Rev. E 53, 591 (1996). [9] M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford University Press, London, 1987) [10] B. Groh and S. Dietrich, Phys. Rev. E 50, 3814 (1994). [11] B. Groh and S. Dietrich, Phys. Rev. E 54, 1687 (1996). [12] S. Klapp and F. Forstmann, Europhys. Lett. 38, 663 (1997). [13] A. Oukouiss and M. Baus, Phys. Rev. E 55, 7242 (1997). [14] M. A. Osipov, P. I. C. Teixiera, and M. M. Telo da Gama, J. Phys. A 30, 1953 (1997). [15] R. Evans, Adv. Phys. 28, 143 (1979). [16] R. Evans, in Fundamentals of Inhomogeneous Fluids, edited by D. Henderson (Dekker, New York, 1992), p. 85. [17] M. M. Telo da Gama, Mol. Phys. 52, 585 (1984). [18] P. I. C. Teixeira and M. M. Telo da Gama, J. Phys.: Condens. Matter 3, 111 (1991). [19] P. Frodl and S. Dietrich, Phys. Rev. A 45, 7330 (1992). [20] N. F. Carnahan and K. E. Starling, J. Chem. Phys. 51, 635 (1969). [21] J. L. Colot, X. G. Wu, H. Xu, and M. Baus, Phys. Rev. A 38, 2022 (1988). [22] J. A. Cuesta, C. F. Tejero, and M. Baus, Phys. Rev. A 39, 6498 (1989). [23] Handbook of Mathematical Functions, edited by M. Abramowitz and I. A. Stegun (Dover, New York, 1972). [24] R. Ohnesorge, H. Löwen, and H. Wagner, Europhys. Lett. 22, 245 (1993). [25] D. A. Young and B. J. Alder, J. Chem. Phys. 60, 1254 (1974). [26] J. F. Lutsko and M. Baus, Phys. Rev. A 41, 6647 (1990). [27] C. F. Tejero and J. A. Cuesta, Phys. Rev. E 47, 490 (1993). [28] A. R. Denton and N. W. Ashcroft, Phys. Rev. A 39, 4701 (1989). [29] C. F. Tejero, M. S. Ripoll, and A. Pérez, Phys. Rev. E 52, 3632 (1995). [30] C. F. Tejero, Phys. Rev. E 55, 3720 (1997). [31] J. A. C. Veerman and D. Frenkel, Phys. Rev. A 41, 3237 (1990); P. Bolhuis and D. Frenkel, J. Chem. Phys. 106, 666 (1997). [32] K. Binder, Z. Phys. B 43, 119 (1981). [33] M. H. J. Hagen and D. Frenkel, J. Chem. Phys. 101, 4093 (1994). [34] F. Lado and E. Lomba, Phys. Rev. Lett. 80, 3535 (1998); F. Lado, E. Lomba, and J. J. Weis, Phys. Rev. E (to be published). [35] K. R. Hall, J. Chem. Phys. 57, 2252 (1972).
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