Related papers: Non-additive symmetric mixtures at selective walls
Binary mixtures of hard-spheres with different diameters and square-well attraction between different particles are studied by theory and Monte Carlo simulations. In our mesoscopic theory, local fluctuations of the volume fraction of the…
The thermal and mechanical behaviors of powders are important for various additive manufacturing technologies. For powder bed fusion, capturing the temperature profile and the packing structure of the powders prior to melting is challenging…
Close to a solid surface, the properties of a fluid deviate significantly from their bulk values. In this context, we study the surface adsorption profiles of a symmetric binary liquid confined to a slit pore by means of molecular dynamics…
A dimer of bound atoms cannot melt, only dissociate. Bulk metals show a well defined first order transition between their solid and liquid phases. The appearance of the melting transition is explored for increasing clusters sizes via the…
The irreversible growth of a binary mixture under far-from-equilibrium conditions is studied in three-dimensional confined geometries of size $L_x \times L_y \times L_z$, where $L_z \gg L_x = L_y$ is the growing direction. A competing…
We study bridging transitions between a pair of non-planar surfaces. We show that the transition can be described using a generalized Kelvin equation by mapping the system to a slit of finite length. The proposed equation is applied to…
A microscopic model of adsorption in cluster forming systems with competing interaction is considered. The adsorption process is described by the master equation and modelled by a kinetic Monte Carlo method. The evolution of the particle…
We present results of a Monte Carlo study of temperature-programmed desorption in a model system with attractive lateral interactions. It is shown that even for weak interactions there are large shifts of the peak maximum temperatures with…
We use discontinuous molecular dynamics and grand-canonical transition-matrix Monte Carlo simulations to explore how confinement between parallel hard walls modifies the relationships between packing fraction, self-diffusivity, partial…
We study the role of surface topology, surface chemistry, and wall superheat temperature on the onset of boiling, bubble nucleation and growth, and the possible formation of an insulating vapour film by means of large-scale MD simulations.…
We present a theoretical study of wetting phenomena and interactions between liquid-vapor interfaces based on the density functional theory. The focus is mostly on the impact of long-range van der Waals interactions both within the fluid…
We report a theoretical and simulation study of the drying and wetting phase transitions of a truncated Lennard-Jones fluid at a flat structureless wall. Binding potential calculations predict that the nature of these transitions depends on…
We study thermal properties of a trapped Bose-Bose mixture in a dilute regime using quantum Monte Carlo methods. Our main aim is to investigate the dependence of the superfluid density and the condensate fraction on temperature, for the…
We employ canonical Monte Carlo simulations to explore the properties of an Ar film adsorbed on the external surface of a bundle of carbon nanotubes. The study is concerned primarily with three properties: specific heat $c(T)$, differential…
We use a simple generic model to study the desorption of atoms from a solid surface in contact with a liquid, by using a combination of Monte Carlo and molecular dynamics simulations. The behavior of the system depends on two parameters:…
By means of detailed Monte Carlo (MC) simulations, we have presented dynamic phase transition (DPT) properties of ferromagnetic thin-films. Thermal variations of surface, bulk and total dynamical order parameters (DOP) for a film and total…
In this two-part study we investigate the phase behaviour of a fluid spatially confined in a semi-infinite rectangular pore formed by three orthogonal walls and connected to a reservoir maintaining constant values of pressure and…
Flow boiling in microchannel heat sinks is an efficient way to dissipate high heat flux by utilizing the large surface-to-volume ratio and high latent heat. Previous studies of boiling heat transfer in microchannels mainly consider the…
An adhesive unilateral contact between visco-elastic heat-conductive bodies in linear Kelvin-Voigt rheology is scrutinised. The flow-rule for debonding the adhesive is considered rate independent, unidirectional, and non-associative due to…
Particle dampers represent a simple yet effective means to reduce unwanted oscillations when attached to structural components. Powder bed fusion additive manufacturing of metals allows to integrate particle inclusions of arbitrary shape,…