Related papers: Two-chamber lattice model for thermodiffusion in p…
This paper reviews recent Monte Carlo simulation studies of the glassy behavior in thin polymer films. The simulations employ a version of the bond-fluctuation lattice model, in which the glass transition is driven by the competition…
We study heat transfer in plane Couette flow laden with rigid spherical particles by means of direct numerical simulations using a direct-forcing immersed boundary method to account for the dispersed phase. A volume of fluid approach is…
Building on recent simulation work, it is demonstrated using molecular-dynamics (MD) simulations of two-component fluid mixtures that the chemical contribution to the Soret effect in two-component non-ideal fluid mixtures arises due to…
Thermophoresis (thermodiffusion, Soret effect) moves molecules along thermal gradients. We measure its phenomenological linear drift relation by single particle tracking in convection-free settings. For moderate thermal gradients, drift…
We investigate thermodynamic properties of a one-dimensional S=1/2 antiferromagnetic Heisenberg model coupled to a lattice distortion by a quantum Monte Carlo method. In particular we study how spin and lattice dimerize as a function of the…
The Soret effect, temperature gradient driven diffusion, in silicate melts has been investigated intensively in the earth sciences from the 1980s. The SiO2 component is generally concentrated in the hotter region of silicate melts under a…
Lipid monolayers and bilayers have been used as experimental models for the investigation of membrane thermal transitions. The main transition takes place near ambient temperatures for several lipids and reflects the order-disorder…
Thermal convection in nanofluids is investigated by means of a continuum model for binary-fluid mixtures, with a thermal conductivity depending on the local concentration of colloidal particles. The applied temperature difference between…
Motivated by the deficiencies of the previous MARTINI models of poly(ethylene oxide) (PEO), we present a new model featuring a high degree of transferability. The model is parametrized on (a) a set of 8 free energies of transfer of…
The glass transition of supercooled fluids is a particular challenge for computer simulation, because the (longest) relaxation times increase by about 15 decades upon approaching the transition temperature T_g. Brute-force molecular…
Diffusion of ions due to temperature gradients (known as thermal diffusion) in charged nanochannels is of interest in several engineering fields, including energy recovery and environmental protection. This paper presents a fundamental…
We study the transient response of an electrolytic cell subject to a small, suddenly applied temperature increase at one of its two bounding electrode surfaces. An inhomogeneous temperature profile then develops, causing, via the Soret…
We study the non-equilibrium diffusion dynamics of supersonic lattice solitons in a classical chain of atoms with nearest-neighbor interactions coupled to a heat bath. As a specific example we choose an interaction with cubic anharmonicity.…
For a large class of lattice models we study the thermodynamic factor, $\Phi$, of the collective surface diffusion coefficient near a first-order phase transition between two phases at low temperatures. In a two-phase regime its dependence…
Clay-polymer dispersions in aqueous solutions have attracted a great interest in recent years due to their industrial applications and intriguing physical properties. Aqueous solutions of bare Laponite particles are known to age…
Studying the properties of the solvent around proteins, we propose a much more sophisticated model of solvation than temperature-independent pairwise interactions between monomers, as is used commonly in lattice representations. We applied…
Marangoni instabilities in binary mixtures are different from those in pure liquids. In contrast to a large amount of experimental work on Marangoni convection in pure liquids, such experiments in binary mixtures are not available in the…
Recent experiments have demonstrated that the glass transition temperature of thin polymer films can be shifted as compared to the same polymer in the bulk, the amplitude and the sign of this effect depending on the interaction between the…
Governing equations for evolution of concentration and temperature in three-component systems were derived in the framework of classical irreversible thermodynamics using Onsager variational principle and were presented for…
We pursue to illustrate the capabilities of the Dual Model of Liquids showing that it may explain crossed effects notable in Non-Equilibrium Thermodynamics. The aim of the paper is to demonstrate that the DML may correctly model the…