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
  • [1] SOLID-FLUID COEXISTENCE FOR INVERSE-POWER POTENTIALS
    AGRAWAL, R
    KOFKE, DA
    [J]. PHYSICAL REVIEW LETTERS, 1995, 74 (01) : 122 - 125
  • [2] THERMODYNAMIC AND STRUCTURAL-PROPERTIES OF MODEL SYSTEMS AT SOLID-FLUID COEXISTENCE .1. FCC AND BCC SOFT SPHERES
    AGRAWAL, R
    KOFKE, DA
    [J]. MOLECULAR PHYSICS, 1995, 85 (01) : 23 - 42
  • [3] Effect of potential truncations and shifts on the solid-liquid phase coexistence of Lennard-Jones fluids
    Ahmed, Alauddin
    Sadus, Richard J.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (12)
  • [4] Isomorph invariance of the structure and dynamics of classical crystals
    Albrechtsen, Dan E.
    Olsen, Andreas E.
    Pedersen, Ulf R.
    Schroder, Thomas B.
    Dyre, Jeppe C.
    [J]. PHYSICAL REVIEW B, 2014, 90 (09)
  • [5] [Anonymous], 1998, Wiley Series in Theoretical Chemistry
  • [6] [Anonymous], 2013, MOL LIQUIDS, DOI DOI 10.1016/B978-0-12-387032-2.00011-8
  • [7] ARGON SHEAR VISCOSITY VIA A LENNARD-JONES POTENTIAL WITH EQUILIBRIUM AND NONEQUILIBRIUM MOLECULAR DYNAMICS
    ASHURST, WT
    HOOVER, WG
    [J]. PHYSICAL REVIEW LETTERS, 1973, 31 (04) : 206 - 208
  • [8] CORRELATION AND PREDICTION OF DENSE FLUID TRANSPORT-COEFFICIENTS .1. NORMAL-ALKANES
    ASSAEL, MJ
    DYMOND, JH
    PAPADAKI, M
    PATTERSON, PM
    [J]. INTERNATIONAL JOURNAL OF THERMOPHYSICS, 1992, 13 (02) : 269 - 281
  • [9] Variation of the dynamic susceptibility along an isochrone
    Bailey, Nicholas P.
    Schroder, Thomas B.
    Dyre, Jeppe C.
    [J]. PHYSICAL REVIEW E, 2014, 90 (04)
  • [10] Balucani U, 1994, DYNAMICS LIQUID STAT, P290