Anisotropy-independent packing of confined hard ellipses

Basturo, Eduardo and Odriozola, Gerardo and Gurin, Péter and Varga, Szabolcs (2021) Anisotropy-independent packing of confined hard ellipses. JOURNAL OF MOLECULAR LIQUIDS, 333. No-115896. ISSN 0167-7322


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We have examined the close-packed structure and ordering properties of hard ellipses between two parallel hard walls by using geometrical conjectures and Monte Carlo simulations. Starting from closely packed hard disk structures, we discover two competing densest packings of ellipses with the stretching of hard disks into different directions. We find that parallel and tilted close-packed structures alternate with widening pore width up to the √ two-dimensional bulk limit, where both structures produce the same close packing value (η = π/ 12). Our results highlight that the densest packing does not depend on the aspect ratio of the ellipse. This universal behavior is confirmed for three different aspect ratios (κ =2, 3, and 4) using replica exchange Monte Carlo simulation. Our simulation results show that even the global phase diagram is universal, where layering transitions between parallel structures and tilted-parallel structural changes are present.

Item Type: Article
Uncontrolled Keywords: Hard ellipses, Packing, Structural transitions, Phase diagram
Subjects: Q Science / természettudomány > QC Physics / fizika > QC03 Heat. Thermodinamics / hőtan, termodinamika
Q Science / természettudomány > QC Physics / fizika > QC06 Physics of condensed matter / szilárdtestfizika
Q Science / természettudomány > QD Chemistry / kémia > QD02 Physical chemistry / fizikai kémia
Depositing User: Professor Dezső Boda
Date Deposited: 09 Nov 2023 14:52
Last Modified: 09 Nov 2023 14:52

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