A Minimal description of morphological hierarchy in two-dimensional aggregates

preprint2015arXivOpen access

Abstract

A dimensionless parameter ΛΛ 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 S2S_2, exhibits data collapse with the average potential energy Eˉ\bar{\mathcal{E}} of the systems. Independent master curves are presented among S2S_2, the reduced second virial coefficient B2∗B_2^* and ΛΛ, 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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