二维聚集体形态层次的最小描述
A Minimal description of morphological hierarchy in two-dimensional aggregates
摘要：
本文提出了一个无量纲参数$Λ$来描述由于短程吸引和长程排斥之间的竞争而形成的二维聚集体中的形态层次。在恒定的温度和密度下，在分子动力学模拟的构型中观察到从有限的非致密结构到致密结构再到非致密结构的结构转变。由两体过剩熵$S_2$测量的跃迁的非线性随机性显示出与系统的平均势能$\bar{\mathcal{E}}$相关的数据崩溃。独立的主曲线之间的$S_2$，减少第二维里系数$B_2^*$和$Λ$，证明这种最小的描述。这项工作奠定了一个连贯的基础，为相关的各种纳米和生物过程的二维聚集体形态的研究。
英文摘要：
A dimensionless parameter $Λ$ is proposed to describe a hierarchy of morphologies in two-dimensional (2D) aggregates formed due to varying competition between short-range attraction and long-range repul- sion. Structural transitions from finite non-compact to compact to percolated structures are observed in the configurations simulated by molecular dynamics at a constant temperature and density. Configurational randomness across the transition, measured by the two-body excess entropy $S_2$, exhibits data collapse with the average potential energy $\bar{\mathcal{E}}$ of the systems. Independent master curves are presented among $S_2$, the reduced second virial coefficient $B_2^*$ and $Λ$, justifying this minimal description. This work lays out a coherent basis for the study of 2D aggregate morphologies relevant to diverse nano- and bio-processes.
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