Related papers: Structural properties of hard-disk fluids under si…
We propose a general formalism to study the static properties of a system composed of particles with nearest neighbor interactions that are located on the sites of a one-dimensional lattice confined by walls (``confined Takahashi lattice…
The new mathematical framework based on the free energy of pure classical fluids presented in [R. D. Rohrmann, Physica A 347, 221 (2005)] is extended to multi-component systems to determine thermodynamic and structural properties of…
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…
Recently, new insights in the relation between the geometry of the vessel that confines a fluid and its thermodynamic properties were traced through the study of cluster integrals for inhomogeneous fluids. In this work I analyze the…
Systems under external confinement and constraints often show interesting properties. In this thesis, we study some systems under external confinement. We begin by finding out the probability distribution of end-to-end separation of a Worm…
Dynamical density functional theory (DDFT) is a powerful variational framework to study the nonequilibrium properties of colloids by only considering a time-dependent one-body number density. Despite the large number of recent successes,…
Packing frustration for confined fluids, i.e., the incompatibility between the preferred packing of the fluid particles and the packing constraints imposed by the confining surfaces, is studied for a dense hard-sphere fluid confined between…
We theoretically investigate general properties of driven (sheared) colloidal suspensions in confinement, based on methods of classical density functional theory. In the absence of an exact closed (Smoluchowski-) equation for the…
We apply a hybrid Molecular Dynamics and mesoscopic simulation technique to study the dynamics of two dimensional colloidal discs in confined geometries. We calculate the velocity autocorrelation functions, and observe the predicted…
This work investigates jammed granular matter under conditions that produce heterogeneous mass distributions on a mesoscopic scale. We consider a system of identical disks that are confined to a narrow channel, open at one end and closed…
Colloidal particles that are confined to an interface such as the air-water interface are an example of a two-dimensional fluid. Such dispersions have been observed to spontaneously form cluster and stripe morphologies in certain systems…
In this thesis I present most of the results obtained during my PhD, where I worked on different subjects regarding jamming in systems of frictionless spheres. In particular, I focused on microscopic properties of jammed packings, such as…
The location of the Frenkel line (FL) of a Lennard-Jones fluid which demarcates two distinct physical states, liquidlike and gaslike within the supercritical regime, has been established through molecular dynamics (MD) simulations of the…
One-dimensional movement of interacting particles is a challenging problem where the correlation between particles induces non-trivial collective effects. In contrast to the single-file diffusion case, the pure ballistic single file…
In this work I derive analytic expressions for the curvature dependent fluid-substrate surface tension of a hard sphere fluid on a hard curved wall. In a first step, the curvature thermodynamic properties are found as truncated power series…
We study the Single File Diffusion (SFD) of a cyclic chain of particles that cannot cross each other, in a thermal bath, with long ranged interactions, and arbitrary damping. We present simulations that exhibit new behaviors specifically…
The structural properties of static, jammed packings of monodisperse spheres in the vicinity of the jamming transition are investigated using large-scale computer simulations. At small wavenumber $k$, we argue that the anomalous behavior in…
We present the results of molecular dynamics computer simulations of a binary Lennard-Jones liquid confined between two parallel rough walls. These walls are realized by frozen amorphous configurations of the same liquid and therefore the…
This paper, about a fluid-like system of spatially confined particles, reveals the analytic structure for both, the canonical and grand canonical partition functions. The studied system is inhomogeneously distributed in a region whose…
We obtain a fundamental measure density functional for mixtures of parallel hard cylinders. To this purpose we first generalize to multicomponent mixtures the fundamental measure functional proposed by Tarazona and Rosenfeld for a…