Related papers: Predicting Polymer Brush Behavior in Solvents usin…
The present work aims to investigate the complex phenomena occurring during high-pressure/high-temperature fuel injection of the Engine Combustion Network (ECN) Spray-A case. While commonly in the literature transcritical mixing cases are…
As has been shown elsewhere, a reasonable model of the loss of entanglement or correlation that occurs in quantum computations is one which assumes that they can effectively be predicted by a framework that presupposes the presence of…
The phoretic Brownian dynamics method is shown here to be an effective approach to simulate the properties of colloidal chemophoretic based systems. The method is then optimized to allow for the comparison with results from multiparticle…
We investigate dynamics of a small quantum system open to a bath with thermostat. We introduce another bath, called super bath, weakly coupled with the bath to provide it with thermostat, which has either the Lindblad or Redfield type. We…
Many glass-forming fluids exhibit a remarkable thermodynamic scaling in which dynamic properties, such as the viscosity, the relaxation time, and the diffusion constant, can be described under different thermodynamic conditions in terms of…
We formulate theoretical modeling approaches and develop practical computational simulation methods for investigating the non-equilibrium statistical mechanics of fluid interfaces with passive and active immersed particles. Our approaches…
Maintaining a comfortable temperature inside a building requires appropriate thermal insulation of windows, which can be optimised iteratively with numerical simulation. Smoothed particle hydrodynamics(SPH) is a fully Lagrangian method…
We study a charged Brownian gas with a non uniform bath temperature, and present a thermohydrodynamical picture. Expansion on the collision time probes the validity of the local equilibrium approach and the relevant thermodynamical…
We have investigated the conditions necessary to achieve stronger Cherenkov-like instability of plasma waves leading to emission in the terahertz (THz) regime for semiconductor quantum wells (QWs). The surface response function is…
In this paper, explicit method of constructing approximations (the Triangle Entropy Method) is developed for nonequilibrium problems. This method enables one to treat any complicated nonlinear functionals that fit best the physics of a…
Pellet manufacturing of biomass (food, feed, bioenergy) presses powders or particles into dense pellets with improved nutritional, calorific, and handling properties. This process upgrades industrial co-products from agriculture, forestry,…
There is an ever-growing need for predictive models for the elasto-viscoplastic deformation of solids. Our goal in this paper is to incorporate recently developed out-of-equilibrium statistical concepts into a thermodynamically consistent,…
Responsive drug delivery vectors can be designed using oppositely charged polyelectrolyte-surfactant complexes. As a model, we created a brush-type copolymer (PECop), combining alginate and Poly(N-isopropylacrylamide) (PNIPAAm), whose side…
We have explored a model for adsorption of water into slit-like nanochannels with two walls chemically modified by grafted polymer layers forming brushes. A version of density functional method is used as theoretical tools. The water-like…
The transport coefficients of a granular binary mixture driven by a stochastic bath with friction are determined from the inelastic Boltzmann kinetic equation. A normal solution is obtained via the Chapman-Enskog method for states near…
Bead spring models for polymers in solution are nonlinear if either the finite extensibility of the polymer, excluded volume effects or hydrodynamic interactions between polymer segments are taken into account. For such models we use a…
Hydrophobic interactions are central to biological self-assembly and soft matter organization, yet their microscopic origins remain debated. A key hallmark is the strengthening of attraction between hydrophobic solutes with increasing…
Using stochastic thermodynamics, the properties of interacting linear chains subject to periodic drivings are investigated. The systems are described by Fokker-Planck-Kramers equation and exact (explicit) solutions are obtained for periodic…
The appearance of steady-state coherence (SSC) from system-bath interaction proves that quantum effects can appear without an external drive. Such SSC could become a resource to demonstrate quantum advantage in the applications. We predict…
We present a scattering approach for the study of the transport and thermodynamics of quantum systems strongly coupled to their thermal environment(s). This formalism recovers the standard non-equilibrium Green's function expressions for…