Related papers: Non-Isothermal, Multi-phase, Multi-component Flows…
A wide range of natural and industrial processes involve heat and mass transport in porous media. In some important cases the transported substance may undergo phase change, e.g. from liquid to solid and vice versa in the case of freezing…
This work expands on our recently introduced low Mach enthalpy method [1] for simulating the melting and solidification of a phase change material (PCM) alongside (or without) an ambient gas phase. The method captures PCM's volume change…
A discrete multistate kinetic model for water-wire proton transport is constructed and analyzed using Monte-Carlo simulations. The model allows for each water molecule to be in one of three states: oxygen lone pairs pointing leftward,…
We describe in detail a recently proposed lattice-Boltzmann model for simulating flows with multiple phases and components. In particular, the focus is on the modeling of one-component fluid systems which obey non-ideal gas equations of…
We develop coarse-grained particle approaches for studying the elastic mechanics of vesicles with heterogeneous membranes having phase-separated domains. We perform simulations both of passive shape fluctuations and of active systems where…
A thermodynamically consistent mathematical model for hydrogen adsorption in metal hydrides is proposed. Beside hydrogen diffusion, the model accounts for phase transformation accompanied by hysteresis, swelling, temperature and heat…
We report experimental observations of an undulational instability of myelin figures. Motivated by this, we examine theoretically the deformation and possible instability of concentric, cylindrical, multi-lamellar membrane structures. Under…
In this paper we study the deformations of bihamiltonian PDEs of hydrodynamic type with one dependent variable. The reason we study such deformations is that the deformed systems maintain an infinite number of commuting integrals of motion…
Several methods in nonadiabatic molecular dynamics are based on Madelung's hydrodynamic description of nuclear motion, while the electronic component is treated as a finite-dimensional quantum system. In this context, the quantum potential…
Lubricants can affect quasicrystalline coatings surfaces by modifying commensurability of the interfaces. We report results of the first computer simulation studies of physically adsorbed hydrocarbons on a quasicrystalline surface: methane,…
We adapt the Smoothed-Particle Hydrodynamics technique to allow a multiphase fluid in which SPH particles of widely differing density may be freely intermixed. Applications include modelling of galaxy formation and cooling flows.
We present Monte Carlo simulations of liquid-crystalline material confined to a nanoscopic slit-pore. The simulations are carried out under isothermal conditions in a specialized isostress ensemble in which N fluid molecules are exposed to…
This paper focuses on the numerical simulation of geothermal systems in complex geological settings. The physical model is based on two-phase Darcy flows coupling the mass conservation of the water component with the energy conservation and…
Understanding the dynamics of phase boundaries in fluids requires quantitative knowledge about the microscale processes at the interface. We consider the sharp-interface motion of compressible two-component flow, and propose a heterogeneous…
When injecting CO2 or other fluids into a geological formation, pressure plays an important role both as a driver of flow and as a risk factor for mechanical integrity. The full effect of geomechanics on aquifer flow can only be captured…
On the basis of a gaussian quasi-chemical model of hydration, a model of non van der Waals character, we explore the role of attractive methane-water interactions in the hydration of methane and in the potential of mean force between two…
We investigate the coupled dynamics of charge and energy in interacting lattice models with dipole conservation. We formulate a generic hydrodynamic theory for this combination of fractonic constraints and numerically verify its…
The paper deals with the fundamental problem of a modeling of the physical, in particular, thermal hydraulic processes, in various media of fractal structure of the natural, technological and technical systems and devices. The examples of a…
A three-dimensional SPH computational framework is presented for modeling fluid-structure interactions with structural deformation and failure. We combine weakly compressible SPH with a pseudo-spring-based SPH solver to capture the fluid…
Nonintegrability plays a crucial role in thermalization and transport processes in many-body Hamiltonian systems, yet its quantitative effects remain unclear. To reveal the connection between the macroscopic relaxation properties and the…