Related papers: Nucleation of crystal surfaces with corner energy …
Dynamical density functional simulations reveal structural aspects of crystal nucleation in undercooled liquids: the first appearing solid is amorphous, which promotes the nucleation of bcc crystals, but suppresses the appearance of the fcc…
Physical adsorption of atoms, molecules and clusters on surface is known. It is linked to many phenomena in physics, chemistry, and biology. Usually the studies of adsorption are limited to the particle sizes of up to ~10^2-10^3 atoms.…
First-order phase transitions that proceed via nucleation of bubbles are described by the homogeneous nucleation theory of Langer. The nucleation rate is one of the most interesting parameters of these transitions. In previous works we have…
Condensation and boiling are phase transitions highly relevant to industry, geology or atmospheric science. These phase transitions are initiated by the nucleation of a drop in a supersaturated vapor and of a bubble in an overstretched…
We study the phase behaviour of cholesteric liquid crystal shells with different geometries. We compare the cases of tangential and no anchoring at the surface, focussing on the former case, which leads to a competition between the…
The crystallization of hard spheres at equilibrium is perhaps the most familiar example of an entropically-driven phase transition. In recent years, it has become clear that activity can dramatically alter this order-disorder transition in…
We study the equilibrium configuration of a nematic liquid crystal bounded by a rough surface. The wrinkling of the surface induces a partial melting in the degree of orientation. This softened region penetrates the bulk up to a length…
Heterogeneous catalysts consisting of supported metallic nanoparticles typically derive exceptional catalytic activity from their large proportion of under-coordinated surface sites which promote adsorption of reactant molecules.…
Capillarity approximation is used to study the free-energy landscape of nucleation when an intermediate metastable phase exists. The critical nucleus that corresponds to the saddle point of the free-energy landscape as well as the whole…
We reconsider model II of [J. Chem. Phys. 1968, 49, 1778--1783], a two-dimensional lattice-gas system featuring a crystalline phase and two distinct fluid phases (liquid and vapor). In this system, a particle prevents other particles from…
A geometrical model which captures the main ingredients governing atom-diatom collinear chemical reactions is proposed. This model is neither near-integrable nor hyperbolic, yet it is amenable to analysis using a combination of the recently…
We theoretically investigate the nucleation of liquid droplets from vapor in the presence of a charged spherical particle. Due to field gradients, sufficiently close to the critical point of the vapor--gas system, the charge destabilizes…
Due to particle conservation, Canonical Molecular Dynamics (MD) simulations fail in the description of surface phase transitions involving coverage or lateral density changes. However, a step on the surface can act effectively as a source…
The conventional theory of homogeneous and heterogeneous nucleation in a supersaturated vapor is tested by Monte Carlo simulations of the lattice gas (Ising) model with nearest-neighbor attractive interactions on the simple cubic lattice.…
Using field theoretic renormalization, an MBE-type growth process with an obliquely incident influx of atoms is examined. The projection of the beam on the substrate plane selects a "parallel" direction, with rotational invariance…
Recently, the nucleation rate on top of a terrace during the irreversible growth of a crystal surface by MBE has been determined exactly. In this paper we go beyond the standard model usually employed to study the nucleation process, and we…
We study continuum percolation in nuclear collisions for the realistic case in which the nuclear matter distribution is not uniform over the collision volume, and show that the percolation threshold is increased compared to the standard,…
We solve exactly a Terrace-Ledge-Kink (TLK) model describing a crystal surface at a microscopic level. We show that there is a faceting transition driven either by temperature or by the chemical potential that controls the slope of the…
In this paper we have explored computationally the solidification process of large nickel clusters. This process has the characteristic features of the first order phase transition occurring in a finite system. The focus of our research is…
Homogeneous nucleation of the new phase of one transition near a second phase transition is considered. The system has two phase transitions, we study the nucleation of the new phase of one of these transitions under conditions such that we…