Related papers: Superheating and solid-liquid phase coexistence in…
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.…
Recent research has revealed several different techniques for nanoscopic gas nucleation on submerged surfaces, with findings seemingly in contradiction with each other. In response to this, we have systematically investigated the occurrence…
We analyze thermodynamics of water samples confined in nanopores and prove that although the freezing temperature can be dramatically lower, the suppression of the ice nucleation leading to the freezing temperature depression is a truly…
Agitated wet granular matter can be considered as a nonequilibrium model system for phase transitions, where the macroscopic particles replace the molecules and the capillary bridges replace molecular bonds. It is demonstrated…
The pressure-temperature phase diagram of a one-component system, with particles interacting through a spherically symmetric pair potential in two dimensions is studied. The interaction consists of a hard core plus an additional repulsion…
We describe several unexpected phenomena, caused by a solid-solid phase transition (gel-to-crystal) typical for all main classes of lipid substances - phospholipids, triglycerides, diglycerides, alkanes, etc. We discovered that this…
Most studies on melting under confinement focus only on the solid and liquid melt phases. Despite of its ubiquity, contributions from the capillary interface (liquid / vapor interface) are often neglected. In this study the melting behavior…
MD simulations of the non-equilibrium melting of aluminum are performed both with and without accounting of the electronic subsystem. A continuum model of melting is purposed basing on the obtained MD results, in which the current phase…
We build a predictive theory for the evolution of mixture of helium and supercooled helium at low temperature. The absolute temperature and the volume fraction of helium, which is dominant at temperature larger than the phase change…
Polyhydrides have been shown to form novel structures at high pressure, which may be found in the interiors of giant planets. With density functional molecular dynamics simulations we studied the behavior of ammonium polyhydride compounds…
In this paper we employ a self-consistent harmonic approximation to investigate surface melting and local melting close to quantum impurities in quantum solids. We show that surface melting can occur at temperatures much lower than the…
Molecular dynamic simulations were employed to study a water-like model confined between hydrophobic and hydrophilic plates. The phase behavior of this system is obtained for different distances between the plates and particle-plate…
Most water in the universe may be superionic, and its thermodynamic and transport properties are crucial for planetary science but difficult to probe experimentally or theoretically. We use machine learning and free energy methods to…
Understanding heat transfer characteristics of phase change and enhancing thermal energy transport in nanoscale are of great interest in both theoretical and practical applications. In the present study, we investigated the nanoscale…
We explore by molecular dynamic simulations the thermodynamical behavior of an anomalous fluid confined inside rigid and flexible nanopores. The fluid is modeled by a two length scale potential. In the bulk this system exhibits the density…
The phonon thermal contribution to the melting temperature of nano-particles is inspected. The discrete summation of phonon states and its corresponding integration form as an approximation for a nano-particle or for a bulk system have been…
Nanoparticle-Enhanced Phase Change Materials (NePCM) have been a subject of intensive research owing to their potential for enhanced thermo-physical properties. However, their behavior during phase change processes, such as melting or…
Melting is typically viewed as a bulk first-order phase transition that proceeds once nucleation barriers are overcome. Here we demonstrate an interfacially arrested melting regime in molecularly thin crystalline films, where large liquid…
A physical mechanism has been proposed to describe the formation of a stable state of a nonwetting liquid after filling of a porous medium at an increased pressure with the subsequent reduction of the overpressure to zero. It has been shown…
We discuss the effect of an (ab)-surface on the melting transition of the pancake-vortex lattice in a layered superconductor within a density functional theory approach. Both discontinuous and continuous surface melting are predicted for…