测试 Yukawa 单组分等离子体桥函数的同构不变性. II. 短程
Testing the isomorph invariance of the bridge functions of Yukawa one-component plasmas. II. Short range
AI总结:
本文通过空穴分布方法和超长分子动力学模拟计算了相关空隙内的 Yukawa 桥函数,验证了其在短程范围内的同构不变性,并探讨了向所有 R-simple 系统的推广及实际意义。
摘要:
已有猜想认为,对于 R-simple 液体类,桥函数在超额熵恒定的相图线上几乎保持不变。在配套论文中,这一假设已在相关空隙外的 Yukawa 桥函数上得到证实。为了完成对不变性假设的测试,本文使用空穴分布方法,并结合以标记粒子对为特征的超长分子动力学模拟输入,计算了相关空隙内的 Yukawa 桥函数。我们开发了一种通用方法来设计标记对相互作用势,以获取均匀的统计数据。此外,还开发了一种外推技术来确定零间距处的桥函数值。我们量化了不同误差源的影响。结果表明,Yukawa 桥函数在短程范围内也表现出近乎同构不变的性质。最后讨论了向所有 R-simple 系统的推广及其实际意义。
英文摘要:
It has been conjectured that bridge functions remain nearly invariant along phase diagram lines of constant excess entropy for the class of R-simple liquids. In the companion paper, this hypothesis has been confirmed for Yukawa bridge functions outside the correlation void. In order to complete the testing of the invariance ansatz, Yukawa bridge functions are here computed inside the correlation void with the cavity distribution method and input from ultra-long molecular dynamics simulations featuring a tagged particle pair. A general methodology is developed for the design of the tagged pair interaction potential that leads to the acquisition of uniform statistics. An extrapolation technique is developed to determine the bridge function value at zero separation. The effect of different sources of errors is quantified. Yukawa bridge functions are demonstrated to be nearly isomorph invariant also in the short range. Generalization to all R-simple systems and practical implications are discussed.
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