中国物理B ›› 2003, Vol. 12 ›› Issue (6): 632-638.doi: 10.1088/1009-1963/12/6/311

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Analytic Debye-Grüneisen equation of state for a generalized Lennard-Jones solids

孙久勋1, 吴强2, 蔡灵仓2, 经福谦2   

  1. (1)Department of Applied Physics, University of Electronic Science and Technology, Chengdu 610054, China; (2)Laboratory for Shock Wave and Detonation Physics Research, Southwest Institute of Fluid Physics, Mianyang 621900, China
  • 收稿日期:2002-12-24 修回日期:2003-02-10 出版日期:2005-03-16 发布日期:2005-03-16
  • 基金资助:
    Project supported by the National Natural Science Foundation of China (Grant No 19904002), by the Science Foundation of China Academy of Engineering Physics (Grant No 99010102), and by the Youth Science and Technology Foundation of UESTC (Grant No YF02070

Analytic Debye-Grüneisen equation of state for a generalized Lennard-Jones solids

Sun Jiu-Xun (孙久勋)a, Wu Qiang (吴强)b, Cai Ling-Cang (蔡灵仓)b, Jing Fu-Qian (经福谦)b   

  1. a Department of Applied Physics, University of Electronic Science and Technology, Chengdu 610054, China; b Laboratory for Shock Wave and Detonation Physics Research, Southwest Institute of Fluid Physics, Mianyang 621900, China
  • Received:2002-12-24 Revised:2003-02-10 Online:2005-03-16 Published:2005-03-16
  • Supported by:
    Project supported by the National Natural Science Foundation of China (Grant No 19904002), by the Science Foundation of China Academy of Engineering Physics (Grant No 99010102), and by the Youth Science and Technology Foundation of UESTC (Grant No YF02070

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摘要： The approximate method to treat the practical quantum anharmonic solids proposed by Hardy, Lacks and Shukla is reformulated with explicit physical meanings. It is shown that the quantum effect is important at low temperature, it can be treated in the harmonic framework; and the anharmonic effect is important at high temperature and tends to zero at low temperature, it can be treated by using a classical approximation. The alternative formulation is easier for various applications, and is applied to a Debye-Grüneisen solid with the generalized Lennard-Jones intermolecular interaction. The expressions for the Debye temperature and Grüneisen parameter as a function of volume are analytically derived. The analytic equation of state is applied to predict the thermodynamic properties of solid xenon at normal-pressure with the nearest-neighbour Lennard-Jones interaction, and is further applied to research the properties of solid xenon and krypton at high pressure by using an all-neighbour Lennard-Jones interaction. The theoretical results are in agreement with the experiments.

Abstract: The approximate method to treat the practical quantum anharmonic solids proposed by Hardy, Lacks and Shukla is reformulated with explicit physical meanings. It is shown that the quantum effect is important at low temperature, it can be treated in the harmonic framework; and the anharmonic effect is important at high temperature and tends to zero at low temperature, it can be treated by using a classical approximation. The alternative formulation is easier for various applications, and is applied to a Debye-Grüneisen solid with the generalized Lennard-Jones intermolecular interaction. The expressions for the Debye temperature and Grüneisen parameter as a function of volume are analytically derived. The analytic equation of state is applied to predict the thermodynamic properties of solid xenon at normal-pressure with the nearest-neighbour Lennard-Jones interaction, and is further applied to research the properties of solid xenon and krypton at high pressure by using an all-neighbour Lennard-Jones interaction. The theoretical results are in agreement with the experiments.

Key words: equation of state, analyticity, generalized Lennard-Jones solid, thermodynamic properties

中图分类号:  (Equations of state of specific substances)

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