耦合粘性液体的结构和动力学
Structure and dynamics of coupled viscous liquids
摘要：
我们进行蒙特卡罗模拟来分析的结构和微观动力学的粘性Lennard-Jones液体耦合到淬火参考配置相同的液体。两个复制品之间的耦合是通过一个场共轭的两个粒子配置之间的重叠Q。这使我们能够研究各种静态和动态关联函数的演变整个（π，T）平衡相图。随着温度的降低，我们确定越来越明显的前体之间的一个低Q和高Q相位诱导的字段的一阶相变。我们特别表明，无论是静态和动态的磁化率有一个最大的温度依赖的值的耦合场，它定义了一个“Widom线”。我们还表明，在高重叠制度，扩散和结构弛豫强烈解耦，因为单粒子运动主要发生通过离散跳跃的网站上定义的参考配置。这些结果，使用传统的数值工具，提供了令人鼓舞的迹象表明，在耦合的粘性液体中存在的平衡相变，但也表明，重要的数值挑战必须克服，以获得更确凿的数值证据。
英文摘要：
We perform Monte-Carlo simulations to analyse the structure and microscopic dynamics of a viscous Lennard-Jones liquid coupled to a quenched reference configuration of the same liquid. The coupling between the two replicas is introduced via a field epsilon conjugate to the overlap Q between the two particle configurations. This allows us to study the evolution of various static and dynamic correlation functions across the (epsilon, T) equilibrium phase diagram. As the temperature is decreased, we identify increasingly marked precursors of a first-order phase transition between a low-Q and a high-Q phase induced by the field epsilon. We show in particular that both static and dynamic susceptibilities have a maximum at a temperature-dependent value of the coupling field, which defines a `Widom line'. We also show that, in the high-overlap regime, diffusion and structural relaxation are strongly decoupled because single particle motion mostly occurs via discrete hopping on the sites defined by the reference configuration. These results, obtained using conventional numerical tools, provide encouraging signs that an equilibrium phase transition exists in coupled viscous liquids, but also demonstrate that important numerical challenges must be overcome to obtain more conclusive numerical evidence.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
