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Within a second virial theory, we study bulk phase diagrams as well as the free planar isotropic-nematic interface of binary mixtures of nonadditive thin and thick hard rods. For species of the same type the excluded volume is determined…

Soft Condensed Matter · Physics 2009-11-10 K. Shundyak , R. van Roij , P. van der Schoot

We explore models of hard-rod fluids with a finite number of allowed orientations, and construct their bulk phase diagrams within Onsager's second virial theory. For a one-component fluid, we show that the discretization of the orientations…

Soft Condensed Matter · Physics 2007-05-23 Kostya Shundyak , René van Roij

We present the first calculations of the pressure tensor profile in the vicinity of the planar interface between isotropic liquid and nematic liquid crystal, using Onsager's density functional theory and computer simulation. When the liquid…

Materials Science · Physics 2009-10-31 A. J. McDonald , M. P. Allen , F. Schmid

Interfaces between demixed fluid phases of binary mixtures of hard platelets are investigated using density-functional theory. The corresponding excess free energy functional is calculated within a fundamental measure theory adapted to the…

Soft Condensed Matter · Physics 2011-09-14 M. Bier , L. Harnau , S. Dietrich

We formulate the scaled particle theory for a general mixture of hard isosceles triangles and calculate different phase diagrams for the one-component fluid and for certain binary mixtures. The fluid of hard triangles exhibits a complex…

Soft Condensed Matter · Physics 2018-05-16 Yuri Martinez-Raton , Ariel Diaz-De Armas , Enrique Velasco

The isotropic to nematic transition in a system of soft spherocylinders is studied by means of grand canonical Monte Carlo simulations. The probability distribution of the particle density is used to determine the coexistence density of the…

Soft Condensed Matter · Physics 2007-05-23 R. L. C. Vink , T. Schilling

We investigate isotropic-isotropic, isotropic-nematic and nematic-nematic phase coexistence in binary mixtures of circular platelets with vanishing thickness, continuous rotational degrees of freedom and radial size ratios $\lambda$ up to…

Soft Condensed Matter · Physics 2015-05-18 Jonathan Phillips , Matthias Schmidt

Density functional theory is used to study colloidal hard-rod fluids near an individual right-angled wedge or edge as well as near a hard wall which is periodically patterned with rectangular barriers. The Zwanzig model, in which the…

Soft Condensed Matter · Physics 2009-11-10 L. Harnau , F. Penna , S. Dietrich

Within an Onsager-like density functional theory we explore the thermodynamic and structural properties of an isotropic and nematic fluid of hard needle-like colloids in contact with a hard substrate coated with a soft short-ranged…

Soft Condensed Matter · Physics 2009-11-11 K. Shundyak , R. van Roij

Polydispersity is believed to have important effects on the formation of liquid crystal phases in suspensions of rod-like particles. To understand such effects, we analyse the phase behaviour of thin hard rods with length polydispersity.…

Soft Condensed Matter · Physics 2010-12-14 Alessandro Speranza , Peter Sollich

We theoretically study the nematic ordering transition of rods that are able to elastically adjust their mutually excluded volumes. The model rods, which consist of a hard core surrounded by a deformable shell, mimic the structure of…

Soft Condensed Matter · Physics 2009-11-11 K. Shundyak , R. van Roij , P. van der Schoot

Bulk properties and free interfaces of mixtures of charged platelike colloids and salt are studied within density-functional theory. The particles are modeled by hard cuboids with their edges constrained to be parallel to the artesian axes…

Other Condensed Matter · Physics 2011-09-14 Markus Bier , Ludger Harnau , S. Dietrich

Scaled particle theory for a binary mixture of hard discorectangles and for a binary mixture of hard rectangles is used to predict possible liquid-crystal demixing scenarios in two dimensions. Through a bifurcation analysis from the…

Soft Condensed Matter · Physics 2009-11-11 Yuri Martinez-Raton , Enrique Velasco , Luis Mederos

We present a study of the isotropic-nematic interface in a system of hard spherocylinders. First we compare results from Monte Carlo simulations and Onsager density functional theory for the interfacial profiles of the orientational order…

Soft Condensed Matter · Physics 2009-11-11 S. Wolfsheimer , C. Tanase , K. Shundyak , R. van Roij , T. Schilling

We study fluids of hard rods in the vicinity of hard spherical and cylindrical surfaces at densities below the isotropic-nematic transition. The Onsager second virial approximation is applied, which is known to yield exact results for the…

Soft Condensed Matter · Physics 2009-10-31 B. Groh , S. Dietrich

In this article we calculate the surface phase diagram of a two-dimensional hard-rod fluid confined between two hard lines. In a first stage we study the semi-infinite system consisting of an isotropic fluid in contact with a single hard…

Statistical Mechanics · Physics 2009-11-13 Yuri Martinez-Raton

Binary mixtures of semiflexible polymers with the same chain length but different persistence lengths separate into two coexisting different nematic phases when the osmotic pressure of the lyotropic solution is varied. Molecular Dynamics…

Soft Condensed Matter · Physics 2020-09-15 Andrey Milchev , Sergei A. Egorov , Jiarul Midya , Kurt Binder , Arash Nikoubashman

We present the first experimental measurements of the isotropic and nematic phases of mixtures of thin, charged semiflexible fd virus, and thick, fd-PEG created by covalently grafting poly-(ethylene glycol) to the the surface of fd, rods.…

Soft Condensed Matter · Physics 2009-11-10 Kirstin Purdy , Szabolcs Varga , Amparo Galindo , George Jackson , Seth Fraden

The isotropic-to-nematic transition in liquid crystals is studied in d=3 spatial dimensions. A simulation method is proposed to measure the angle dependent interfacial tension g(theta), with theta the anchoring angle of the nematic phase at…

Soft Condensed Matter · Physics 2007-06-19 R. L. C. Vink

Using overdamped Brownian dynamics simulations we investigate the isotropic-nematic (IN) transition of self-propelled rods in three spatial dimensions. For two well-known model systems (Gay-Berne potential and hard spherocylinders) we find…

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