Self-Assembly of Particles on a Curved Mesh
Discrete statistical systems offer a significant advantage over systems defined in the continuum, since they allow for an easier enumeration of microstates. We introduce a lattice-gas model on the vertices of a polyhedron called a pentakis icosidodecahedron and draw its exact phase diagram by the Wa...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2025-01-01
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| Series: | Entropy |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1099-4300/27/1/46 |
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| Summary: | Discrete statistical systems offer a significant advantage over systems defined in the continuum, since they allow for an easier enumeration of microstates. We introduce a lattice-gas model on the vertices of a polyhedron called a pentakis icosidodecahedron and draw its exact phase diagram by the Wang–Landau method. Using different values for the couplings between first-, second-, and third-neighbor particles, we explore various interaction patterns for the model, ranging from softly repulsive to Lennard-Jones-like and SALR. We highlight the existence of sharp transitions between distinct low-temperature “phases”, featuring, among others, regular polyhedral, cluster-crystal-like, and worm-like structures. When attempting to reproduce the equation of state of the model by Monte Carlo simulation, we find hysteretic behavior near zero temperature, implying a bottleneck issue for Metropolis dynamics near phase-crossover points. |
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| ISSN: | 1099-4300 |