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



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Lomba, Enrique and Weis, J. J. and Fernández Tejero, Carlos (1998) Liquid-solid transition of the ferromagnetic Heisenberg fluid: Simulation, density functional, and perturbation theories. Physical Review E, 58 (3 - Pa). pp. 3426-3435. ISSN 1063-651X

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Official URL: http://dx.doi.org/10.1103/PhysRevE.58.3426


The 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.

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© 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.

Uncontrolled Keywords:Isotropic-nematic transition; Hard-sphere; Interfacial properties; Monte-Carlo; Computer-simulation; Phase-diagrams; Model; Approximation; System; Nonuniform
Subjects:Sciences > Physics > Thermodynamics
ID Code:23783
Deposited On:04 Dec 2013 13:37
Last Modified:02 Nov 2015 13:56

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