Clusters, columns, and lamellae-minimum energy configurations in core softened potentials
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Updated: Dec 9, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Gernot J Pauschenwein1, Gerhard Kahl1
1Center for Computational Materials Science and Institut für Theoretische Physik, Technische Universität Wien, Wiedner Hauptstraße 8-10, A-1040 Wien, Austria.
Abstract:
We give evidence that particles interacting via the simple, radially symmetric square-shoulder potential can self-organise in highly complex, low-symmetry lattices, thereby forming clusters, columns, or lamellae; only at high pressure are compact, high-symmetry structures observed. Our search for these ordered equilibrium structures is based on ideas of genetic algorithms, a strategy that is characterised by a high success rate. A simple mean-field type consideration complements these findings and locates in a semi-quantitative way the cross-over between the competing structures.
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