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Solubility and interfacial energy are two fundamental parameters underlying the competitive nucleation of polymorphs. However, solubility measurement of metastable phases comes with a risk of solventmediated transformations which can render…
The lack of a procedure to determine equilibrium thermodynamic properties of a small system interacting with a bath is frequently seen as a weakness of conventional statistical mechanics. A typical example for such a small system is a…
A novel phase-flip model is proposed for thermodynamically consistent and computationally efficient description of spallation and cavitation in pure liquids within the framework of ideal hydrodynamics. Aiming at ultra-fast dynamic loads,…
Modelling interfacial dynamics with soluble surfactants in a multiphase system is a challenging task. Here, we consider the numerical approximation of a phase-field surfactant model with fluid flow. The nonlinearly coupled model consists of…
Finite size scaling (FSS) analysis of the liquid gas criticality is complicated by the absence of any broken symmetry. This, in particular, does not allow a straightforward finding of the coexistence line and the critical point. The…
Using a Ginzburg-Landau model, we study the phase transition behavior of compressible Ising systems at constant volume by varying the temperature $T$ and the applied magnetic field $h$. We show that two phases can coexist macroscopically in…
We analyze thermodynamic models for fluid systems in equilibrium based on a virial expansion of the internal energy in terms of the volume density. We prove that the models, formulated for finite-size systems with $N$ particles, are exactly…
In many scientific applications, the target probability distribution cannot be evaluated in closed form or sampled from directly. Instead, it can often be decomposed into multiple components, some of which are accessible only through…
The crust-core phase transition of neutron stars is quantitatively studied within a unified meta-modelling of the nuclear Equation of State (EoS). The variational equations in the crust are solved within a Compressible Liquid Drop (CLD)…
A phase--field method is applied to the modeling of flow and breakup of droplets in a T--shaped junction in the hydrodynamic regime where capillary and viscous stresses dominate over inertial forces, which is characteristic of microfluidic…
We propose a microscopic stochastic approach to improve description of nuclear dynamics beyond the mean-field approximation at low energies. It is shown that, for small amplitude fluctuations, the proposed model gives a result for the…
We report a Monte Carlo simulation study of the properties of highly asymmetric binary hard sphere mixtures. This system is treated within an effective fluid approximation in which the large particles interact through a depletion potential…
Specialized Monte Carlo simulations and the moment free energy (MFE) method are employed to study liquid-gas phase equilibria in size-disperse fluids. The investigation is made subject to the constraint of fixed polydispersity, i.e. the…
In this article we formulate and implement a computational multiphase periporomechanics model for unguided fracturing in unsaturated porous media. The same governing equation for the solid phase applies on and off cracks. Crack formation in…
We simulate the mesoscopic dynamics of droplets formed by phase separated fluids at nanometer scales where thermal fluctuations are significant. Both spherical droplets fully immersed in a second fluid and sessile droplets which are also in…
The liquid-gas phase diagram for polydisperse dipolar hard-sphere fluid with polydispersity in the hard-sphere size and dipolar moment is calculated using extension of the recently proposed thermodynamic perturbation theory for central…
A method is presented that allows exact calculations of fragment multiplicity distributions for a canonical ensemble of non-interacting clusters. Fragmentation properties are shown to depend on only a few parameters. Fragments are shown to…
Materials with nanoscale phase separation are considered. These materials are formed by a mixture of several phases, so that inside one phase there exist nanosize inclusions of other phases, with random shapes and random spatial locations.…
We study the statistics of fluid (gas) density and concentration of passive tracer particles (dust) in compressible turbulence. We raise the question of whether the fluid density which is an active field that reacts back on the transporting…
We propose and study a model for the equilibrium statistical mechanics of a pressurised semiflexible polymer ring. The Hamiltonian has a term which couples to the algebraic area of the ring and a term which accounts for bending…