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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MDPI AG
2025-01-01
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| Series: | Entropy |
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| Online Access: | https://www.mdpi.com/1099-4300/27/1/46 |
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| author | Gabriele Costa Santi Prestipino |
| author_facet | Gabriele Costa Santi Prestipino |
| author_sort | Gabriele Costa |
| collection | DOAJ |
| description | 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. |
| format | Article |
| id | doaj-art-c66a1706c09145f89cb95e6479540299 |
| institution | Kabale University |
| issn | 1099-4300 |
| language | English |
| publishDate | 2025-01-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Entropy |
| spelling | doaj-art-c66a1706c09145f89cb95e64795402992025-01-24T13:31:48ZengMDPI AGEntropy1099-43002025-01-012714610.3390/e27010046Self-Assembly of Particles on a Curved MeshGabriele Costa0Santi Prestipino1Dipartimento di Scienze Matematiche e Informatiche, Scienze Fisiche e Scienze della Terra, Università degli Studi di Messina, Viale F. Stagno d’Alcontres 31, 98166 Messina, ItalyDipartimento di Scienze Matematiche e Informatiche, Scienze Fisiche e Scienze della Terra, Università degli Studi di Messina, Viale F. Stagno d’Alcontres 31, 98166 Messina, ItalyDiscrete 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.https://www.mdpi.com/1099-4300/27/1/46lattice-gas modelsspherical boundary conditionsself-assembly |
| spellingShingle | Gabriele Costa Santi Prestipino Self-Assembly of Particles on a Curved Mesh Entropy lattice-gas models spherical boundary conditions self-assembly |
| title | Self-Assembly of Particles on a Curved Mesh |
| title_full | Self-Assembly of Particles on a Curved Mesh |
| title_fullStr | Self-Assembly of Particles on a Curved Mesh |
| title_full_unstemmed | Self-Assembly of Particles on a Curved Mesh |
| title_short | Self-Assembly of Particles on a Curved Mesh |
| title_sort | self assembly of particles on a curved mesh |
| topic | lattice-gas models spherical boundary conditions self-assembly |
| url | https://www.mdpi.com/1099-4300/27/1/46 |
| work_keys_str_mv | AT gabrielecosta selfassemblyofparticlesonacurvedmesh AT santiprestipino selfassemblyofparticlesonacurvedmesh |