可穿透方阱流体：解析研究和蒙特卡罗模拟
Penetrable-Square-Well fluids: Analytical study and Monte Carlo simulations
摘要：
本文研究了可穿透球通过吸引势相互作用形成的一维经典流体的结构和热物理性质。球的可穿透性是通过将对势中的排斥能垒从无限减少到有限来实现的。因此，即使在一维中也缺乏精确的解析解。基于先前在低密度极限中的精确分析工作[Santos \textit{et al.}，Phys. Rev. E \text{77}，051206（2008）]，我们提出了在任何密度和低渗透区域有效的近似理论。通过与专门的蒙特卡罗模拟和积分方程理论的比较，我们评估了该理论的有效性。我们调查的程度之间的不一致性的各种路线热力学和探索的可能性流体-流体过渡。最后，我们找到了Fisher-Widom线对穿透度的依赖关系。我们的研究结果构成了第一个系统的研究渗透领域的吸引力作为软系统的原型模型。
英文摘要：
We study structural and thermophysical properties of a one-dimensional classical fluid made of penetrable spheres interacting via an attractive square-well potential. Penetrability of the spheres is enforced by reducing from infinite to finite the repulsive energy barrier in the pair potentials As a consequence, an exact analytical solution is lacking even in one dimension. Building upon previous exact analytical work in the low-density limit [Santos \textit{et al.}, Phys. Rev. E \text{77}, 051206 (2008)], we propose an approximate theory valid at any density and in the low-penetrable regime. By comparison with specialized Monte Carlo simulations and integral equation theories, we assess the regime of validity of the theory. We investigate the degree of inconsistency among the various routes to thermodynamics and explore the possibility of a fluid-fluid transition. Finally we locate the dependence of the Fisher-Widom line on the degree of penetrability. Our results constitute the first systematic study of penetrable spheres with attractions as a prototype model for soft systems.
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