Related papers: Two-chamber lattice model for thermodiffusion in p…
Collective diffusion coefficient in a two-dimensional lattice gas on a nonhomogeneous substrate is investigated using variational approach. Particles reside at adsorption sites with different well depths potentials and jump randomly between…
This work investigates the two-dimensional thermal behavior of a bilayer medium subject to both internal and external heat sources. The model incorporates diffusion, advection, and temperature-dependent volumetric heat generation or…
We present thermophoretic measurements in aqueous suspensions of three different polystyrene (PS) particles of varying negative charge, size and surface coating. Our measurement technique is based on the observation of the colloidal…
We present a hybrid simulation method which allows one to study the dynamical evolution of self-assembling (co)polymer solutions in the presence of hydrodynamic interactions. The method combines an established dynamic density functional…
In earlier work we provided the first evidence that the collapse, or coil-globule, transition of an isolated polymer in solution can be seen in a four-dimensional model. Here we investigate, via Monte Carlo simulations, the canonical…
There have been increasing reports that the diffusion coefficient of macromolecules depends on time and fluctuates randomly. Here, a novel method to elucidate the fluctuating diffusivity from trajectory data is developed. The time-averaged…
We utilize the lattice cluster theory (LCT) of polymer fluids to show that the configurational entropy, enthalpy, and internal energy are all closely interrelated, as suggested by recent measurements by Caruthers and Medvedev, so that the…
We use complete enumeration and Monte Carlo techniques to study two-dimensional self-avoiding polymer chains with quenched ``charges'' $\pm 1$. The interaction of charges at neighboring lattice sites is described by $q_i q_j$. We find that…
We study the lower critical solution temperature (LCST) in thermoresponsive polymer solutions by means of a coarse grained single polymer chain simulation and a theoretical approach. The simulation model includes solvent explicitly and thus…
We employ a three-dimensional molecular dynamics to simulate translocation of a polymer through a nanopore driven by an external force. The translocation is investigated for different three pore diameter and two different external forces.…
Colloidal dispersions of Laponite platelets are known to age slowly from viscous sols to colloidal glasses. We follow this aging process by monitoring the diffusion of probe particles embedded in the sample via dynamic light scattering. Our…
Multi-layered materials are everywhere, from fiber-reinforced polymer composites (FRPCs) to plywood sheets to layered rocks. When in service, these materials are often exposed to long-term environmental factors, like moisture, temperature,…
The characteristics of the hydro-thermal flow which occurs when a cold fluid is injected into a hot fractured bedrock depend on the morphology of the fracture. We consider a sharp triangular asperity, invariant in one direction, perturbing…
Understanding interfacial heat transfer between polymers and water is crucial for the design of biomaterials, drug delivery platforms, and nanofluidic systems. In this study, we employed all atom molecular dynamics (MD) simulations to…
We consider two parallel layers of dipolar ultracold Fermi gases at different temperatures and calculate the heat transfer between them. The effective interactions describing screening and correlation effects between the dipoles in a single…
The effect of topology on the collapse transition and instantaneous shape of an energy polydisperse polymer (a model heteropolymer) is studied by means of computer simulations. In particular, we consider three different chain topology,…
We investigate the strongly correlated effect of cold atoms in triangular optical lattice by dynamical cluster approximation combining with the continuous time quantum Monte Carlo method proposed recently. It is found the double occupancy…
We follow the dynamics of an ensemble of interacting self-propelled semi-flexible polymers in contact with a thermal bath. We characterize structure and dynamics of the passive system and as a function of the motor activity. We find that…
Freezing of water droplets placed on the bare and superhydrophobic surfaces of polymer wedges are studied both experimentally and computationally. Two-dimensional numerical calculations of the transient temperature field in a chilled…
Polymer solutions subject to pressure driven flow and in nanoscale slit pores are systematically investigated using the dissipative particle dynamics approach. We investigated the effect of molecular weight, polymer concentration and flow…