测试Yukawa单组分等离子体桥函数的同构不变性。I. 中程和长程
Testing the isomorph invariance of the bridge functions of Yukawa one-component plasmas. I. Intermediate and long range
AI总结:
本文利用Ornstein-Zernike反演方法和超高精度分子动力学模拟,计算并验证了Yukawa系统桥函数在中长程范围内近似具有同构不变性,同时详细量化了各类误差及扰动敏感性。
摘要:
最近有人猜想,对于广泛的R-简单液体类,桥函数在沿恒定过剩熵的相图线上几乎保持不变。为了检验这一假设,利用Ornstein-Zernike反演方法和来自超高精度分子动力学模拟的结构输入,计算了Yukawa系统在相关空隙外的桥函数。量化了统计、网格、有限尺寸、尾部和同构误差的影响。不确定性传播分析辅以对桥函数对径向分布函数中周期性和非周期性乘性扰动敏感性的详细研究。在长程和中程范围内,证明了桥函数近似具有同构不变性。
英文摘要:
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.
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