A minimal description of morphological hierarchy in two-dimensional aggregates

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 repulsion. Structural transitions from finite non-compact to compact to percolated structures are observe...

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Veröffentlicht in:Soft matter 2015-09, Vol.11 (34), p.674-6746
Hauptverfasser: Das, Tamoghna, Lookman, T, Bandi, M. M
Format: Artikel
Sprache:eng
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Zusammenfassung: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 repulsion. 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 &z.egrm; 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. A single dimensionless parameter is proposed to characterise the morphology of two-dimensional aggregates by their structural randomness.
ISSN:1744-683X
1744-6848
DOI:10.1039/c5sm01222h