Density-functional theory for the freezing of Stockmayer fluids

被引:42
作者
Groh, B
Dietrich, S
机构
[1] Fachbereich Physik, Bergische Universität Wuppertal, Wuppertal
来源
PHYSICAL REVIEW E | 1996年 / 54卷 / 02期
关键词
D O I
10.1103/PhysRevE.54.1687
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We examine the freezing of Stockmayer fluids which consist of spherical particles interacting via Lennard-Jones and dipolar forces and thus represent, e.g., models for ferrofluids. The theoretical analysis is based on an appropiate version of density-functional theory which is capable of describing both the freezing transition and the formation of orientationally ordered phases. This allows us to study the variation of the topology of phase dia;:rams as a function of the strength of the dipole moment of the particles. We find an isotropic gas and liquid phase, a ferromagnetic liquid, an orientationally disordered solid, and a ferromagnetic solid. For small dipole moments the formation of the ferromagnetic liquid is preempted by freezing. For the ferromagnetic solid the face-centered-cubic structure turns out to be more stable than the body-centered-tetragonal structure.
引用
收藏
页码:1687 / 1697
页数:11
相关论文
共 54 条
  • [1] [Anonymous], 1984, THEORY MOL FLUIDS FU, DOI DOI 10.1093/OSO/9780198556022.001.0001
  • [2] PERTURBATION THEORY AND EQUATION OF STATE FOR FLUIDS .2. A SUCCESSFUL THEORY OF LIQUIDS
    BARKER, JA
    HENDERSO.D
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (11) : 4714 - &
  • [3] EQUATION OF STATE FOR NONATTRACTING RIGID SPHERES
    CARNAHAN, NF
    STARLING, KE
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (02) : 635 - &
  • [4] LASER DIFFRACTION DETERMINATION OF THE CRYSTALLINE-STRUCTURE OF AN ELECTRORHEOLOGICAL FLUID
    CHEN, TJ
    ZITTER, RN
    TAO, R
    [J]. PHYSICAL REVIEW LETTERS, 1992, 68 (16) : 2555 - 2558
  • [5] DENSITY-FUNCTIONAL THEORY AND FREEZING OF SIMPLE LIQUIDS
    CURTIN, WA
    ASHCROFT, NW
    [J]. PHYSICAL REVIEW LETTERS, 1986, 56 (26) : 2775 - 2778
  • [6] DAGAMA MMT, 1984, MOL PHYS, V52, P585
  • [7] MODIFIED WEIGHTED-DENSITY-FUNCTIONAL THEORY OF NONUNIFORM CLASSICAL LIQUIDS
    DENTON, AR
    ASHCROFT, NW
    [J]. PHYSICAL REVIEW A, 1989, 39 (09): : 4701 - 4708
  • [8] STATIC AND DYNAMIC CORRELATIONS IN FLUIDS WITH INTERNAL QUANTUM STATES - COMPUTER-SIMULATIONS AND THEORY
    DESMEDT, P
    NIELABA, P
    LEBOWITZ, JL
    TALBOT, J
    DOOMS, L
    [J]. PHYSICAL REVIEW A, 1988, 38 (03): : 1381 - 1394
  • [9] Evans R., 1992, Fundamentals of Inhomogeneous Fluids
  • [10] STATISTICAL CALCULATION FOR A MODEL FERROMAGNETIC LIQUID
    FEIJOO, L
    WOO, CW
    RAJAN, VT
    [J]. PHYSICAL REVIEW B, 1980, 22 (05): : 2404 - 2410