Related papers: Two-chamber lattice model for thermodiffusion in p…
We have studied both experimentally and theoretically the surface pressure isotherms of copolymers of polystyrene-polyethyleneoxide (PS-PEO) at the air-water interface. The SCMF (single chain mean-field) theory provides a very good…
The associative interaction, such as hydrogen bonding, can bring about versatile functionalities to polymer systems, which has been investigated by tremendous researches, but the fundamental understanding on association process is still…
A two-dimensional half-filled lattice gas model with nearest-neighbor attractive interaction is studied where particles are coupled to two thermal baths at different temperatures $T_1$ and $T_2$. The hopping of particles is governed by the…
The hydrophobic effect is the dominant force which drives a protein towards its native state, but its physics has not been thoroughly understood yet. We introduce an exactly solvable model of the solvation of non-polar molecules in water,…
We study the localisation of lattice polymer models near a permeable interface in two dimensions. Localisation can arise due to an interaction between the polymer and the interface, and can be altered by a preference for the bulk solvent on…
The heat transfer characteristics of thin film flow over a hot sphere resulting from a cold vertical jet of liquid falling onto the surface has been investigated. The underlying physical features have been illustrated by numerical solutions…
We represent a theory of polymer gelation as an analogue of liquid-glass transition in which elastic fields of stress and strain shear components appear spontaneously as a consequence of the cross-linking of macromolecules. This…
We have performed parallel tempering Monte Carlo simulations using a simple continuum heteropolymer model for proteins. All ten heteropolymer sequences which we have studied have shown first-order transitions at low temperature to ordered…
The bi-layered structure has drawn a wide interest due to its good performance in solar steam generation. In this work, we firstly develop a calculation model which could give a good prediction of experimental results. Then, this model is…
The surface tension, the adsorption, and the depletion thickness of polymers close to a single nonadsorbing colloidal sphere are computed by means of Monte Carlo simulations. We consider polymers under good-solvent conditions and in the…
We set up a discrete space-time dynamical model of molecules with thermalised kinetic energy and repulsive cores, in an external potential. The state is specified by a probability on the sample space. One time-step is given by a…
I did off-lattice 3D Monte Carlo simulations for polymer translocation through a narrow pore at low external field, trying to be as close to a direct approach as possible. The process was found non equilibrium globally, but dynamics of the…
Tunable Kondo lattice and heavy fermion physics have been recently reported in moir\'e materials, but most of the studies have focused on the electrical and magnetic properties. Quantitative thermoelectric measurements, which can reveal…
We perform molecular dynamics simulations using the extended simple point charge SPC/E water model in order to investigate the dynamical behavior of supercooled-stretched water. We focus on the behavior of the translational diffusion…
Heat-to-charge conversion has traditionally been realized via the Seebeck effect in conductors and pyroelectricity in polar insulators. Here, we demonstrate that temperature gradients generate electrical polarization, namely…
Single-file diffusion of propane and toluene molecules inside a narrow, effectively one-dimensional zeolite pore was experimentally studied by Czaplewski {\sl et al.} Using a stochastic lattice gas approach, we obtain an analytical…
A simple vibrational model of heat transfer in two-dimensional (2D) fluids relates the heat conductivity coefficient to the longitudinal and transverse sound velocities, specific heat, and the mean interatomic separation. This model is…
We study pressurised self-avoiding ring polymers in two dimensions using Monte Carlo simulations, scaling arguments and Flory-type theories, through models which generalise the model of Leibler, Singh and Fisher [Phys. Rev. Lett. Vol. 59,…
Thermal conductivity of aligned polymer molecules can be exceptionally high along the alignment direction due to energy transport through strong covalent bonds. At the same time, it is highly sensitive to molecular conformation, varying by…
Considering screeening of electron scattering interactions in terms of the finite-temperature STLS theory and solving the linearized Boltzmann equation (with no appeal to a relaxation time approximation), we present a theoretical analysis…