A density functional theory for the bulk phase diagram of two-dimensional orientable hard rods is proposed and tested against Monte Carlo computer simulation data. In detail, an …
A Milchev, SA Egorov, K Binder… - The Journal of Chemical …, 2018 - pubs.aip.org
Coarse-grained models of lyotropic solutions of semiflexible polymers are studied by both molecular dynamics simulations and density functional theory calculations, using an implicit …
R Wittmann, M Marechal, K Mecke - Journal of Physics …, 2016 - iopscience.iop.org
Density functional theory (DFT) for hard bodies provides a theoretical description of the effect of particle shape on inhomogeneous fluids. We present improvements of the DFT …
P De Gregorio, E Frezza, C Greco, A Ferrarini - Soft Matter, 2016 - pubs.rsc.org
Recent experiments have evidenced some unconventional features in the elasticity of nematics, which cannot be explained by standard microscopic theories. Here, in the …
We construct a phenomenological Landau-de Gennes theory for hard colloidal rods by performing an order parameter expansion of the chemical-potential dependent grand …
Stiff, elongated biomolecules such as filamentous viruses, DNA or cellulose nanocrystals are known to form liquid crystals often exhibiting a helical supramolecular organization. Little …
Liquid crystals consisting of biaxial particles can exhibit a much richer phase behavior than their uniaxial counterparts. Usually, one has to rely on simulation results to understand the …
R Wittmann, K Mecke - The Journal of Chemical Physics, 2014 - pubs.aip.org
A fluid constituted of hard spherocylinders is studied using a density functional theory for non-spherical hard particles, which can be written as a function of weighted densities. This is …
Nanopolyhedra form a versatile toolbox to investigate the effect of particle shape on self- assembly. Here we consider rod-like triangular prisms to gauge the effect of the cross …