The Lennard-Jones melting line and isomorphism

被引:25
作者
Heyes, D. M. [1 ]
Branka, A. C. [2 ]
机构
[1] Univ London, Dept Phys, Egham TW20 0EX, Surrey, England
[2] Polish Acad Sci, Inst Mol Phys, PL-60179 Poznan, Poland
关键词
STEEPLY REPULSIVE POTENTIALS; SOLID-FLUID COEXISTENCE; SELF-DIFFUSION COEFFICIENT; TIME-CORRELATION FUNCTIONS; THERMAL-CONDUCTIVITY; SHEAR VISCOSITY; TRANSPORT-COEFFICIENTS; TEMPERATURE RELATION; ELASTIC-MODULI; HIGH-PRESSURE;
D O I
10.1063/1.4937487
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The location of the melting line (ML) of the Lennard-Jones (LJ) system and its associated physical properties are investigated using molecular dynamics computer simulation. The radial distribution function and the behavior of the repulsive and attractive parts of the potential energy indicate that the ML is not a single isomorph, but the isomorphic state evolves gradually with temperature, i.e., it is only "locally isomorphic." The state point dependence of the unitless isomorphic number, (X) over tilde, for a range of static and dynamical properties of the LJ system in the solid and fluid states, and for fluid argon, are also reported. The quantity (X) over tilde typically varies most with state point in the vicinity of the triple point and approaches a plateau in the high density (temperature) limit along the ML. (C) 2015 AIP Publishing LLC.
引用
收藏
页数:10
相关论文
共 83 条
  • [11] Solid-fluid coexistence of the Lennard-Jones system from absolute free energy calculations
    Barroso, MA
    Ferreira, AL
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2002, 116 (16) : 7145 - 7150
  • [12] Scaling of viscous dynamics in simple liquids: theory, simulation and experiment
    Bohling, L.
    Ingebrigtsen, T. S.
    Grzybowski, A.
    Paluch, M.
    Dyre, J. C.
    Schroder, T. B.
    [J]. NEW JOURNAL OF PHYSICS, 2012, 14
  • [13] Do the repulsive and attractive pair forces play separate roles for the physics of liquids?
    Bohling, Lasse
    Veldhorst, Arno A.
    Ingebrigtsen, Trond S.
    Bailey, Nicholas P.
    Hansen, Jesper S.
    Toxvaerd, Soren
    Schroder, Thomas B.
    Dyre, Jeppe C.
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2013, 25 (03)
  • [14] Can high pressure experiments shed light on the puzzles of glass transition? The problem of extrapolation
    Brazhkin, V. V.
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 2008, 20 (24)
  • [15] MOLAR VOLUME OF ARGON ALONG MELTING CURVE UP TO 10 KBAR
    CHENG, VM
    DANIELS, WB
    CRAWFORD, RK
    [J]. PHYSICS LETTERS A, 1973, A 43 (02) : 109 - 110
  • [16] COMPILATION AND ANALYSIS OF MELTING CIRVE DATA FOR ARGON
    CRAFTON, RG
    [J]. PHYSICS LETTERS A, 1971, A 36 (02) : 121 - &
  • [17] HARD-SPHERE MELTING MODEL - MELTING IN ARGON
    CRAWFORD, RK
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1974, 60 (05) : 2169 - 2174
  • [18] Extended and accurate determination of the melting curves of argon, helium, ice (H2O), and hydrogen (H2)
    Datchi, F
    Loubeyre, P
    LeToullec, R
    [J]. PHYSICAL REVIEW B, 2000, 61 (10) : 6535 - 6546
  • [19] Dymond J. H., 1996, TRANSPORT PROPERTIES, P226
  • [20] A theory-based method for correlation and prediction of dense-fluid transport properties
    Dymond, JH
    [J]. INTERNATIONAL JOURNAL OF THERMOPHYSICS, 1997, 18 (02) : 303 - 312