论文标题
测试Yukawa一组分等离子体的桥梁功能的同构不变性。 I.中级和远距离
Testing the isomorph invariance of the bridge functions of Yukawa one-component plasmas. I. Intermediate and long range
论文作者
论文摘要
最近已经猜想，沿恒定熵的恒定熵的相位图线几乎保持不变。为了检验这一假设，Yukawa系统的桥梁函数是在相关性空隙之外与Ornstein-zernike反转方法和超精度分子动力学模拟的结构输入的。量化统计，网格，有限大小，尾巴和同构误差的影响。对径向分布函数中桥接功能对周期性和周期性的乘法扰动的敏感性的详细研究对不确定性传播分析进行了补充。在长和中间的范围内，桥梁函数被证明是近似异晶的。
It has been recently conjectured that bridge functions remain nearly invariant along phase diagram lines of constant excess entropy for the broad class of R-simple liquids. To test this hypothesis, the bridge functions of Yukawa systems are computed outside the correlation void with the Ornstein-Zernike inversion method and structural input from ultra-accurate molecular dynamics simulations. The effect of statistical, grid, finite-size, tail and isomorphic errors is quantified. Uncertainty propagation analysis is complemented with a detailed investigation of the sensitivity of the bridge function to periodic and aperiodic multiplicative perturbations in the radial distribution function. In the long and intermediate range, bridge functions are demonstrated to be approximately isomorph invariant.
