Related papers: Effective shape and phase behaviour of short charg…
We present a modification of a recently developed volume of fluid method for multiphase problems, so that it can be used in conjunction with a fractional step-method and fast Poisson solver, and validate it with standard benchmark problems.…
We calculate the transport coefficients like shear viscosity and electrical conductivity with respect to density of dense hadronic and quark matter. By considering the simple massless limit for the quark matter and two different effective…
Using the classical density functional theory of freezing and Monte Carlo computer simulations, we explore the liquid-crystalline phase behavior of hard rectangles on flat and cylindrical manifolds. Moreover, we study the effect of a static…
Using Monte Carlo simulation methods, we explore the role of molecular shape in the phase behavior of liquid crystals and the electroclinic effect. We study a "bent-rod" mesogen shaped like the letter Z, composed of seven soft spheres…
A system of hard rigid rods of length $k$ on hypercubic lattices is known to undergo two phases transitions when chemical potential is increased: from a low density isotropic phase to an intermediate density nematic phase, and on further…
We compute the Hall viscosity and conductivity of non-relativistic two-dimensional chiral superconductors, where fermions pair due to a short-range attractive potential, e.g. $p+\mathrm{i}p$ pairing, and interact via a long-range repulsive…
Here we analyze multiple symmetry-inequivalent atomic configurations across the entire composition range of the isovalent and isostructural Mo$_x$W$_{1-x}$S$_2$ alloy using density-functional theory and Monte Carlo simulations. Our results…
We investigate fluids of dipolar hard particles by a certain variant of density-functional theory. The proper treatment of the long range of the dipolar interactions yields a contribution to the free energy which favors ferromagnetic order.…
The static Coulomb potential of Quantum Electrodynamics (QED) is calculated in the presence of a strong magnetic field in the lowest Landau level (LLL) approximation using two different methods. First, the vacuum expectation value of the…
Cellulose nanocrystals (CNC) can be considered as model colloidal rods and have practical applications in the formation of soft materials with tailored anisotropy. Here, we employ two contrasting microfluidic devices to quantitatively…
The viruses studied are genetically engineered, charged, semiflexible filamentous bacteriophages that are structurally identical to M13 virus, but differ either in contour length or surface charge. While varying contour length (L) we assume…
In the field of liquid crystals, it is well-known that rod-like molecules interacting via long-range attractive interactions or short-range repulsive potentials can exhibit orientational order. In this work, we are interested in what would…
The Coulomb repulsion, impeding electrons' motion, has an important impact on the charge dynamics. It mainly causes a reduction of the effective metallic Drude weight (proportional to the so-called optical kinetic energy), encountered in…
The isoelectronic series of Be, Ne and Si are investigated using a variational determination of the second-order density matrix. A semidefinite program was developed that exploits all rotational and spin symmetries in the atomic system. We…
Inspired by recent experiments and simulations on pattern formation in biomolecules by optical tweezers, a theoretical description based on reference interaction site model (RISM) integral equation method is developed to calculate the…
We use a coarse-grained molecular dynamics model to study the electrophoretic behaviour of flexible polyelectrolyte chains. We first characterize the static properties of the model with respect to the chain length, the polyelectrolyte…
We have used density functional theory to study the nonlinear screening properties of a two-dimensional (2D) electron gas. In particular, we consider the screening of an external static point charge of magnitude Z as a function of the…
We study the behavior of the antiferromagnetic RP$^2$ model in $d=3$. The vacuum structure is analyzed in the critical and low temperature regions, paying special attention to the spontaneous symmetry breaking pattern. Near the critical…
The second Born corrections to the electrical and thermal conductivities are calculated for the dense matter in the liquid metal phase for various elemental compositions of astrophysical importance. Inclusion up to the second Born…
The phase behavior of rodlike molecules with polydisperse length and solvent-mediated attraction and repulsion is described by an extension of the Onsager theory for rigid rods. A phenomenological square-well potential is used to model…