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We study by Quantum Monte Carlo simulations the phase diagram of lattice hard core bosons with nearest-neighbour repulsive interactions, in the presence of a super-lattice of adsorption sites. For a moderate adsorption strength, the system…
The results of a numerical investigation of fluidized beds of spherical particles in a narrow vertical cylindrical pipe, with particular attention to the spontaneous settling along the wall, are reported. Starting from a steady fluidized…
We investigate the conformation, position, and dynamics of core-shell nanoparticles (CSNPs) composed of a silica core encapsulated in a cross-linked poly-N-isopropylacrylamide shell at a water-oil interface for a systematic range of core…
Particles added to a fluid interface can be used as a surface stabilizer in the food, oil and cosmetic industries. As an alternative to rigid particles, it is promising to consider highly deformable particles that can adapt their…
We introduce a family of two-dimensional lattice models of quasicrystals, using a range of square hard cores together with a soft interaction based on an aperiodic tiling set. Along a low temperature isotherm we find, by Monte Carlo…
We formulate a theoretical model of the shear failure of a thin film tethered to a rigid substrate. The interface between film and substrate is modeled as a cohesive layer with randomly fluctuating shear strength/fracture energy. We…
When two molecular species with mutual affinity are mixed together, various self-assembled phases can arise at low temperature, depending on the shape of like and unlike interactions. Among them, stripes -- where layers of one type are…
We study a 12-parameter stochastic process involving particles with two-site interaction and hard-core repulsion on a $d$-dimensional lattice. In this model, which includes the asymmetric exclusion process, contact processes and other…
The influence of the patchiness and correlations in the distribution of hydrophobic and polar residues at the interface between two rigid biomolecules on their recognition ability is investigated in idealised coarse-grained lattice models.…
Macroscopic properties of heterogeneous media are frequently modelled by regular lattice models, which are based on a relatively small basic cluster of lattice sites. Here, we extend one of such models to any cluster's size kxk. We also…
A polymer chain tethered to a surface may be compact or extended, adsorbed or desorbed, depending on interactions with the surface and the surrounding solvent. This leads to a rich phase diagram with a variety of transitions. To investigate…
A surface model with skeletons is investigated by using the canonical Monte Carlo simulations. The skeleton is composed of linear chains, which are joined to each other at the rigid junctions. A one-dimensional bending energy is defined on…
Liquid capillary-bridge formation between solid particles has a critical influence on the rheological properties of granular materials and, in particular, on the efficiency of fluidized bed reactors. The available analytical and…
We study the physics of cold polar molecules loaded into an optical lattice in the regime of strong three-body interactions, as put forward recently by B\"uchler [Nature Phys. 3, 726 (2007)]. To this end quantum Monte Carlo simulations,…
The interface of a soft hydrogel is easily deformed when it is in contact with particles, droplets or cells. Here we compute the intricate shapes of hydrogel menisci due to the indentation of point particles. The analysis is based on a free…
We study a system of particles in two dimensions interacting via a dipolar long-range potential $D/r^3$ and subject to a square-lattice substrate potential $V({\bf r})$ with amplitude $V$ and lattice constant $b$. The isotropic interaction…
A one dimensional lattice model is formulated to study tapping dynamics and the long time steady distribution in granular media. The dynamics conserves the number of particles in the system, and density changes are associated to the…
The properties of the interface in a phase-separated solution of polymers with different degrees of polymerization and Kuhn segment lengths are calculated. The starting point is the planar interface, the profile of which is calculated in…
Using Molecular Dynamics (MD) and Monte Carlo (MC) simulations interfacial properties of crystal-fluid interfaces are investigated for the hard sphere system and the one-component metallic system Ni (the latter modeled by a potential of the…
A generic lattice model for systems containing particles interacting with short-range attraction long-range repulsion (SALR) potential that can be solved exactly in one dimension is introduced. We assume attraction J_1 between the first…