Related papers: Nucleation Theory for Capillary Condensation
We demonstrate that Multi-Body Dissipative Particle Dynamics (MDPD) can be used as an efficient computational tool for the investigation of nanoscale capillary impregnation of confined geometries. As an essential prerequisite, a novel model…
A mode-coupling theory for the slow single-particle dynamics in fluids adsorbed in disordered porous media is derived, which complements previous work on the collective dynamics [V. Krakoviack, Phys. Rev. E 75, 031503 (2007)]. Its…
We present a thermodynamically consistent model of a ternary fluid interacting with elastic membranes. Following a free-energy modelling approach and taking into account the thermodynamics laws, we derive the equations governing the ternary…
The very early stage of the coalescence of two nuclei is studied and used to estimate the nuclear viscosity. The time evolution of the neck region has been simulated by the unified Langevin equation method, which is used in the analysis of…
After reexamining the above barrier diffusion problem where we notice that the wave packet collision implies the existence of {\em multiple} reflected and transmitted wave packets, we analyze the way of obtaining phase times for…
A model for nucleation of second phase at or around dislocation in a crystalline solid is considered. The model employs the Ginzburg-Landau theory of phase transition comprising the sextic term in order parameter in the Landau free energy.…
This work reconsiders the Becker-Doering model for nucleation under isothermal conditions in the presence of phase transitions. Based on thermodynamic principles a modified model is derived where the condensation and evaporation rates may…
We employ a simple model to describe the phase behavior of 4He and Ar in a hypothetical porous material consisting of a regular array of infinitely long, solid, parallel cylinders. We find that high porosity geometries exhibit two…
The evaluation of nucleation rates from molecular dynamics trajectories is hampered by the slow nucleation time scale and impact of finite size effects. Here, we show that accurate nucleation rates can be obtained in a very general fashion…
The transmission of wave packets through tunneling barriers is studied in detail by the method of quantum molecular dynamics. The distribution function of the times describing the arrival of a tunneling packet in front of and behind a…
Demixing of binary fluids subjected to slow temperature ramps shows repeated waves of nucleation which arise as a consequence of the competition between generation of supersaturation by the temperature ramp and relaxation of supersaturation…
An oxidation process is simulated for a bundle of metal tubes in a cross-flow. A fluid flow is governed by the incompressible Navier-Stokes equations. To describe the transport of oxygen, the corresponding convection-diffusion equation is…
We present a new numerical tool designed to probe the dense layers of neutron star crusts. It is based on the time-dependent Hartree-Fock-Bogoliubov theory with generalized Skyrme nuclear energy-density functionals of the Brussels-Montreal…
We report a new first-order phase transition preceding capillary condensation and corresponding to the discontinuous formation of a curved liquid meniscus. Using a mean-field microscopic approach based on the density functional theory we…
The dynamics of liquid condensation on a substrate or within a capillary is studied when the wetting film grows via interface-limited growth. We use a phenomenological time-dependent Ginzburg-Landau (TDGL)-type model with long-range…
Starting from a phase-field description of the isothermal solidification of a dilute binary alloy, we establish a model where capillary waves of the solidification front interact with the diffusive concentration field of the solute. The…
We use molecular simulation to calculate the nucleation free energy barrier for the freezing of a 456 atom gold cluster over a range of temperatures. The results show that the embryo of the solid cluster grows at the vapor-surface interface…
The Glauber model is extensively applied to heavy ion collision for describing a number of interaction processes over a wide range of energies from near the Coulomb barrier to higher energies. The model gives the nucleus-nucleus interaction…
We study conditions under which carbon clusters of different sizes form and stabilize. {We describe an approach to equilibrium by simulating tenuous carbon gas dynamics to long times.} First, we use reactive molecular dynamics simulations…
A gauge-invariant framework for computing bubble nucleation rates at finite temperature in the presence of radiative barriers was presented and advocated for model-building and phenomenological studies in an accompanying article…