Related papers: Molecular reordering processes on ice (0001) surfa…
The ordering of particles in the drying process of a colloidal suspension is crucial in determining the properties of the resulting film. For example, microscopic inhomogeneities can lead to the formation of cracks and defects that can…
Phase diagram and pattern formation in two-dimensional Ising model with coupling between order parameter and lattice vibrations is investigated by Monte-Carlo simulations. It is shown that if the coupling is strong enough (or phonons are…
We study the unitary time evolution of antiferromagnetic order in the Hubbard model after a quench starting from the perfect N\'eel state. In this setup, which is well suited for experiments with cold atoms, one can distinguish…
Hysteresis and the non-equilibrium dynamic phase transition in thin magnetic films subject to an oscillatory external field have been studied by Monte Carlo simulation. The model under investigation is a classical Heisenberg spin system…
Ordering processes in fcc-alloys with composition A_3B (like Cu_3Au, Cu_3Pd, CoPt_3 etc.) are investigated by Monte Carlo simulation within a class of lattice models based on nearest-neighbor (NN) and second-neighbor (NNN) interactions.…
By path integral Monte Carlo simulations we study the phase diagram of two - dimensional mesoscopic clusters formed by electrons in a semiconductor quantum dot or by indirect magnetoexcitons in double quantum dots. At zero (or sufficiently…
We adapt Vertex models to understand the physical origin of the formation of long-range ordered structures in repulsive soft particles. The model incorporates contributions from the volume and surface area of each particle. Sampling using…
A system of optimal biaxial molecules placed at the sites of a cubic lattice is studied in an extended Lebwohl-Lasher model. Molecules interact only with their nearest neighbors through the pair potential that depends on the molecule…
Motivated by recent experimental activities on surface critical phenomena, we present a detailed theoretical study of the near-surface behavior of the local order parameter m(z) in Ising-like spin systems. Special attention is paid to the…
In this work, we perform a systematic computer simulation study of ice premelting, and explore the thickness and structure of quasi-liquid layers formed at the interface of ice with substrates of different hydrophilicity. Our study shows…
Electric dipoles of water molecules, enclosed singly in regularly spaced nanopores of a cordierite crystal, become ordered at low temperature due to their mutual interaction and show the frequency dependence of their dielectric…
We study the effects of time-dependent substrate/film temperature in the deposition of a mesoscopically thick film using a statistical model that accounts for diffusion of adatoms without lateral neighbors whose coefficients depend on an…
Atoms at liquid metal surfaces are known to form layers parallel to the surface. We analyze the two-dimensional arrangement of atoms within such layers at the surface of liquid sodium, using ab initio molecular dynamics (MD) simulations…
Hydrogen bond patterns, proton ordering, and phase transitions of monolayer ice in two-dimensional hydrophobic confinement are fundamentally different from those found for bulk ice. To investigate the behavior of quasi-2D ice, we perform…
We study the surface growth generated by the random deposition of particles of different sizes. A model is proposed where the particles are aggregated on an initially flat surface, giving rise to a rough interface and a porous bulk. By…
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…
The configurations of the molecules nearest to a single vacancy in solid CO2 were studied by the Metropolis Monte Carlo (MC) simulation at temperatures T = 0, 100, and 200 K. It was found that distorted orientational configurations at T = 0…
Robust empirical constitutive laws for granular materials in air or in a viscous fluid have been expressed in terms of timescales based on the dynamics of a single particle. However, some behaviours such as viscosity bifurcation or shear…
The random disorder can drastically change the melting scenario of two-dimensional systems and has to be taken into account in the interpretation of the experimental results. We present the results of the molecular dynamics simulations of…
We have investigated the thermally induced proton/deuteron exchange in mixed amorphous H$_2$O:D$_2$O ices by monitoring the change in intensity of characteristic vibrational bending modes of H$_2$O, HDO, and D$_2$O with time and as function…