Related papers: Thermodynamically consistent simulation of nonisot…
We model the flow behaviour of dense melts of flexible and semiflexible ring polymers in the presence of walls using a hybrid multiscale approach. Specifically, we perform molecular dynamics simulations and apply the Irving-Kirkwood formula…
We simulate the compression of a two-component Lennard-Jones liquid at a variety of constant temperatures using a molecular dynamics algorithm in an isobaric-isothermal ensemble. The viscosity of the liquid increases with pressure,…
We study equilibrium droplets in two-phase systems at parameter values corresponding to phase coexistence. Specifically, we give a self-contained microscopic derivation of the Gibbs-Thomson formula for the deviation of the pressure and the…
To examine the evolution of giant molecular clouds in the stream of a hot plasma we performed two-dimensional hydrodynamical simulations that take full account of self-gravity, heating and cooling effects and heat conduction by electrons.…
We explore the properties of the equilibrium space of van der Waals thermodynamic systems. We use an invariant representation of the fundamental equation by using the law of corresponding states, which allows us to perform a general…
A new equation of state for argon has been developed in view to extend the range of validity of the equation of state previously proposed by Tegeler et al. (Ref. 4) and to obtain a better physical description of the experimental…
We derive analytical solutions for hydrodynamic sources and sinks to granular temperature in moderately dense suspensions of elastic particles at finite Reynolds numbers. Modeling the neighbor-induced drag disturbances with a Langevin…
We present a new energy-stable open boundary condition, and an associated numerical algorithm, for simulating incompressible flows with outflow/open boundaries. This open boundary condition ensures the energy stability of the system, even…
We experimentally investigate the statistical behaviour of a model two-dimensional granular system undergoing stationary sedimentation. Buoyant cylindrical particles are rotated in liquid-filled drum, thus confined in a harmonic centripetal…
The algorithm for the DPD fluid, the dynamics of which is conceptually a combination of molecular dynamics, Brownian dynamics and lattice gas automata, is designed for simulating rheological properties of complex fluids on hydrodynamic time…
A thermodynamic framework that predicts the thermal conductivity $\lambda$ of simple fluids beyond the dilute-gas limit is introduced. By generalizing the transition-rate approach of particles on a lattice to conserved quantities in…
We investigate the equation of state and elastic properties of nonmagnetic hcp iron at high pressures and high temperatures using the first principles linear response linear-muffin-tin-orbital method in the generalized-gradient…
We develop a numerical method to study the dynamics of a two-component atomic Fermi gas trapped inside a harmonic potential at temperature T well below the Fermi temperature Tf. We examine the transition from the collisionless to the…
A thermodynamic phase transition denotes a drastic change of state of a physical system due to a continuous change of thermodynamic variables, as for instance pressure and temperature. The classical van der Waals equation of state is the…
The interest in the description of the properties of fluids of restricted dimensionality is growing for theoretical and practical reasons. In this work, we have firstly developed an analytical expression for the Helmholtz free energy of the…
This paper is devoted to the numerical study of droplet impact on solid substrates in presence of surfactants. We formulate the problem in an energetically variational framework and introduce an incompressible Cahn-Hilliard-Navier-Stokes…
What is the interface temperature during phase transition (for instance, from liquid to vapor)? This question remains fundamentally unresolved. In the modeling of heat transfer problems with no phase change, the temperature and heat flux…
We use a hybrid method of lattice Boltzmann and finite differences to simulate flat and curved interfaces between the nematic and isotropic phases of a liquid crystal described by the Landau-de Gennes theory. For the flat interface, we…
In this paper we propose a new diffuse interface model for the numerical simulation of inviscid compressible flows around fixed and moving solid bodies of arbitrary shape. The solids are assumed to be moving rigid bodies, without any…
We formulate an approximate thermodynamic theory of the phase transition in driven lattice gases with attractive nearest-neighbor interactions. We construct the van der Waals equation of state for a driven system where a nonequilibrium…