Parsons–Lee approach for oblate hard spherocylinders

Gámez, Francisco; Merkling, Patrick J.; Lago, S.

doi:10.1016/j.cplett.2010.05.094

Cited by 11 publications

(9 citation statements)

References 35 publications

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“…As a result an edge-on nematic order Figure 4 b) in -H/D plane for L/D=0. 6. It is obvious that 1LFO structure can be destabilised with respect to 1LEO with increasing H/D, because the particles have more free volume (lower excluded area) in 1LEO order.…”

Section: Resultsmentioning

confidence: 94%

“…First we show the density profiles of the plates at three different densities in Figure 3, where L/D=0. 6 and H/D=1.1. It can be seen that the local densities do not depend on z, because only one fluid layer is allowed to form in both face-on and edge-on orientations.…”

Section: Resultsmentioning

confidence: 99%

“…Over the years several hard body models including oblate and prolate have been devised and studied by simulation and theory [2]. Some important models of oblate (plate-* salehi_h@scu.ac.ir like) particles are the disk [3][4][5], oblate spherocylinder [6,7], ring [8,9], cut sphere [10,11], sheet [12], lense [13], board [14,15] and rhombic platelet [16]. From the studies of these models, it is now well-understood that the key factor is the anisotropic shape in the formation of liquid crystalline states such as the nematic and columnar.…”

Section: Introductionmentioning

confidence: 99%

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Orientational ordering and layering of hard plates in narrow slitlike pores

et al. 2019

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We examine the ordering behavior of hard plate-like particle in a very narrow slit-like pore using the Parsons-Lee density functional theory and the restricted orientation approximation.We observe that the plates are orientationally ordered and align perpendicularly (face-on) to the walls at low densities, a first order layering transition occurs between uniaxial nematic structures having n and n+1 layers at intermediate densities and even a phase transition between a monolayer with parallel (edge-on) orientational order and n layers with perpendicular one can be detected at high densities. In addition to this, the edge-on monolayer is usually biaxial nematic and a uniaxial-biaxial nematic phase transition can be also seen at very high densities.

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Section: Resultsmentioning

confidence: 94%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Orientational ordering and layering of hard plates in narrow slitlike pores

et al. 2019

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“…For cut spheres at low aspect ratios, Fartaria and Sweatman [43] found that the nematic-order parameter S 2 depended strongly on aspect ratio ξ . S 2 = 1/2(cos θ 2 − 1) is a measure of the average relative orientation of the disks that is close to 0 in the isotropic phase and nonzero in the nematic phase [85], where θ is the average inclination of the platelets to the director.…”

Section: A Cut Spheresmentioning

confidence: 99%

Aspect ratio and polydispersity dependence of isotropic-nematic transition in discotic suspensions

Mejı́a

Chang

et al. 2012

Phys. Rev. E

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“…[46] we include the Parson-Lee factor. Indeed, the Parson decoupling approximation satisfactory models the phase diagram of uniaxial hard ellipsoids [63], hard cylinders [64], linear fused hard spheres chains [65], mixtures of hard platelets [66], hard sphero-cylinders [67][68][69], rod-plate mixtures [70], mixtures of rod-like particles [71,72] and mixtures of hard rods and hard spheres [73]. On the other hand, Ref.…”

Section: Theorymentioning

confidence: 99%

Self-Assembly of Bifunctional Patchy Particles with Anisotropic Shape into Polymers Chains: Theory, Simulations, and Experiments

2011

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Concentrated solutions of short blunt-ended DNA duplexes, down to 6 base pairs, are known to order into the nematic liquid crystal phase. This self-assembly is due to the stacking interactions between the duplex terminals that promotes their aggregation into poly-disperse chains with a significant persistence length. Experiments show that liquid crystals phases form above a critical volume fraction depending on the duplex length. We introduce and investigate via numerical simulations, a coarse-grained model of DNA double-helical duplexes. Each duplex is represented as an hard quasi-cylinder whose bases are decorated with two identical reactive sites. The stacking interaction between terminal sites is modeled via a short-range square-well potential. We compare the numerical results with predictions based on a free energy functional and find satisfactory quantitative matching of the isotropic-nematic phase boundary and of the system structure. Comparison of numerical and theoretical results with experimental findings confirm that the DNA duplexes self-assembly can be properly modeled via equilibrium polymerization of cylindrical particles and enables us to estimate the stacking energy.

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Parsons–Lee approach for oblate hard spherocylinders

Cited by 11 publications

References 35 publications

Orientational ordering and layering of hard plates in narrow slitlike pores

Orientational ordering and layering of hard plates in narrow slitlike pores

Aspect ratio and polydispersity dependence of isotropic-nematic transition in discotic suspensions

Self-Assembly of Bifunctional Patchy Particles with Anisotropic Shape into Polymers Chains: Theory, Simulations, and Experiments

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