摘要翻译:
提出了一个简单流体直接相关函数的简单模型,该模型由硬核贡献、简单参数化核校正和平均场尾组成。该模型只需要由热力学微扰理论得到的均匀流体的自由能作为输入。与从Lennard-Jones流体模拟中得到的DCF的比较表明,对于广泛的密度范围,这是一个令人惊讶的良好近似。利用该模型建立了非均匀流体的密度泛函理论,并应用于计算液-汽界面的表面张力问题。所得数值与模拟结果吻合较好。
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英文标题:
《Density functional theory of inhomogeneous liquids. I. The liquid-vapor
  interface in Lennard-Jones fluids》
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作者:
James F. Lutsko
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最新提交年份:
2007
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分类信息:
一级分类:Physics        物理学
二级分类:Statistical Mechanics        统计力学
分类描述:Phase transitions, thermodynamics, field theory, non-equilibrium phenomena, renormalization group and scaling, integrable models, turbulence
相变,热力学,场论,非平衡现象,重整化群和标度,可积模型,湍流
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英文摘要:
  A simple model is proposed for the direct correlation function (DCF) for simple fluids consisting of a hard-core contribution, a simple parametrized core correction, and a mean-field tail. The model requires as input only the free energy of the homogeneous fluid, obtained, e.g., from thermodynamic perturbation theory. Comparison to the DCF obtained from simulation of a Lennard-Jones fluid shows this to be a surprisingly good approximation for a wide range of densities. The model is used to construct a density functional theory for inhomogeneous fluids which is applied to the problem of calculating the surface tension of the liquid-vapor interface. The numerical values found are in good agreement with simulation. 
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PDF链接:
https://arxiv.org/pdf/710.1168