Failure of standard density functional theory to describe the phase behavior of a fluid of hard right isosceles triangles
A fluid of hard right isosceles triangles was studied using an extension of scaled-particle density-functional theory which includes the exact third virial coefficient. We show that the only orientationally ordered stable liquid-crystal phase predicted by the theory is the uniaxial nematic phase, in...
| Autores: | , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2021 |
| País: | España |
| Institución: | Universidad Autónoma de Madrid |
| Repositorio: | Biblos-e Archivo. Repositorio Institucional de la UAM |
| Idioma: | inglés |
| OAI Identifier: | oai:repositorio.uam.es:10486/705585 |
| Acceso en línea: | http://hdl.handle.net/10486/705585 https://dx.doi.org/10.1103/PhysRevE.104.054132 |
| Access Level: | acceso abierto |
| Palabra clave: | Clustering Effect Density-Functional-Theory Liquid Crystal Phase Nematic Phasis Particle Densities Stable Liquids Third Virial Coefficients Uniaxial Nematics Monte Carlo Methods Física |
| Sumario: | A fluid of hard right isosceles triangles was studied using an extension of scaled-particle density-functional theory which includes the exact third virial coefficient. We show that the only orientationally ordered stable liquid-crystal phase predicted by the theory is the uniaxial nematic phase, in agreement with the second-order virial theory. By contrast, Monte Carlo simulations predict exotic liquid-crystal phases exhibiting tetratic and octatic correlations, with orientational distribution functions having four and eight equivalent peaks, respectively. This demonstrates the failure of the standard density-functional theory based on two- and three-body correlations to describe high-symmetry orientational phases in two-dimensional hard right-triangle fluids, and it points to the necessity to reformulate the theory to take into account high-order body correlations and ultimately particle self-assembling and clustering effects. This avenue may represent a great challenge for future research, and we discuss some fundamental ideas to construct a modified version of density-functional theory to account for these clustering effects |
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