高级搜索

,  ,  , 

downloadPDF

上一篇

下一篇

引用本文:
shu
SUN Jiu-Xun, CAI Ling-Cang, Wu QIANG, JING FU-QIAN. 2000: ANALYTIC EQUATION OF STATE FOR GENERALIZED LENNARD-JONES SOLID INCLUDING LOWEST-ORDER ANHARMONIC AND CORRELATION CORRECTIONS*, Acta Physica Sinica, 12(9): 927-933. doi: 10.3321/j.issn:1000-3290.2000.09.009
Citation: SUN Jiu-Xun, CAI Ling-Cang, Wu QIANG, JING FU-QIAN. 2000: ANALYTIC EQUATION OF STATE FOR GENERALIZED LENNARD-JONES SOLID INCLUDING LOWEST-ORDER ANHARMONIC AND CORRELATION CORRECTIONS*, Acta Physica Sinica, 12(9): 927-933. doi: 10.3321/j.issn:1000-3290.2000.09.009
shu

  • Laboratory for Shock Wave and Detonation Physics Research, Southwest Institute of Fluid Physics, Mianyang 730000, China

ANALYTIC EQUATION OF STATE FOR GENERALIZED LENNARD-JONES SOLID INCLUDING LOWEST-ORDER ANHARMONIC AND CORRELATION CORRECTIONS*

  • 摘要: Based on the cell model, the general formula for the free energy of solids is derived analytically with the lowest order anharmonic modification and correlation effect taken into account. Combining a method of summing over lattice sites, the analytic equation of state for generalized Lennard-Jones solid is derived. The calculations show that the agreement between theory and computer simulation is quite good and is significantly improved as compared with the numerical results in literature. The comparison of different effects shows the theory including all neighbors but only considering the lowest anharmonic and correlation effects may be a good and convenient approximation for practical solids. The approximation can be easily extended to the quantum case and other generalized potentials.
    Abstract: Based on the cell model, the general formula for the free energy of solids is derived analytically with the lowest order anharmonic modification and correlation effect taken into account. Combining a method of summing over lattice sites, the analytic equation of state for generalized Lennard-Jones solid is derived. The calculations show that the agreement between theory and computer simulation is quite good and is significantly improved as compared with the numerical results in literature. The comparison of different effects shows the theory including all neighbors but only considering the lowest anharmonic and correlation effects may be a good and convenient approximation for practical solids. The approximation can be easily extended to the quantum case and other generalized potentials.
  • 加载中
  • 加载中
计量
  • 文章访问数:  326
  • HTML全文浏览数:  35
  • PDF下载数:  0
  • 施引文献:  0
出版历程
  • 刊出日期:  2000-09-30

  • Laboratory for Shock Wave and Detonation Physics Research, Southwest Institute of Fluid Physics, Mianyang 730000, China

摘要: Based on the cell model, the general formula for the free energy of solids is derived analytically with the lowest order anharmonic modification and correlation effect taken into account. Combining a method of summing over lattice sites, the analytic equation of state for generalized Lennard-Jones solid is derived. The calculations show that the agreement between theory and computer simulation is quite good and is significantly improved as compared with the numerical results in literature. The comparison of different effects shows the theory including all neighbors but only considering the lowest anharmonic and correlation effects may be a good and convenient approximation for practical solids. The approximation can be easily extended to the quantum case and other generalized potentials.

English Abstract

    全文HTML

参考文献 (0)

目录

/

返回文章
返回