期刊
PHYSICAL REVIEW E
卷 104, 期 5, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevE.104.054132
关键词
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资金
- Ministerio de Economia, Industria y Competitividad (MINECO) of Spain [FIS2017-86007-C3-1-P]
- [PGC2018-096606-B-I00]
The study found that the theoretically predicted stable liquid-crystal phase with orientational order for two-dimensional hard right-triangle fluids is the uniaxial nematic phase, whereas Monte Carlo simulations predict exotic liquid-crystal phases with tetratic and octatic correlations.
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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