Related papers: Predicting Polymer Brush Behavior in Solvents usin…
The Smoothed Particle Hydrodynamics (SPH) is a particle-based, Lagrangian method for fluid-flow simulations. In this work, fundamental concepts of this method are first briefly recalled. Then, the ability to accurately model granular…
Polymer brushes have found extensive applications as responsive surfaces, particularly in achieving tunable friction in solvent environments. Despite recent interest in extending this technology to air environments, little is known about…
We consider a molecular junction immersed in a solvent where the electron transfer is dominated by Marcus-type steps. However, the successive nature of the charge transfer through the junction does not imply that the solvent reach thermal…
Dynamic wetting plays an important role in the physics of multiphase flow, and has significant influence on many industrial and geotechnical applications. In this work, a modified smoothed particle hydrodynamics (SPH) model is employed to…
The Boltzmann kinetic equation is considered to compute the transport coefficients associated with the mass flux of intruders in a granular gas. Intruders and granular gas are immersed in a gas of elastic hard spheres (molecular gas). We…
For configurational changes of soft matter systems affected or caused by external hydrodynamic flow, we identify applied work, exchanged heat, and entropy change on the level of a single trajectory. These expressions guarantee invariance of…
The thermodynamics of quantum systems coupled to periodically modulated heat baths and work reservoirs is developed. By identifying affinities and fluxes, the first and second law are formulated consistently. In the linear response regime,…
The Synchronized Molecular-Dynamics simulation which was recently proposed by authors [Phys. Rev. X {\bf 4}, 041011 (2014)] is applied to the analysis of polymer lubrication between parallel plates. The rheological properties,…
A novel approach to the dynamics of dilute solutions of polymer molecules under flow conditions is proposed by applying the rules of mesoscopic nonequilibrium thermodynamics (MNET). The probability density describing the state of the system…
A simple analytical/numerical model has been developed for computing the evolution, over periods of up to a few hours, of the current and temperature profile in the upper layer of the ocean. The model is based upon conservation laws for…
Polymer gels are comprised of a three-dimensional, cross-linked network that can typically withstand the mechanical deformation associated with both swelling and de-swelling. Thus, gels can be designed with smart behaviors that require both…
Entropy production is the key to the second law of thermodynamics, and it is well defined by considering a joint unitary evolution of a system $S$ and a thermal environment $E$. However, due to the diversity of the initial state and…
We present a simple stochastic quadrant model for calculating the transport and de- position of heavy particles in a fully developed turbulent boundary layer based on the statistics of wall-normal fluid velocity fluctuations obtained from a…
We study the motion of a Brownian particle in a medium with inhomogeneous temperature. In the overdamped regime of low Reynolds numbers, the probability distribution function (PDF) of the particle is obtained from the van Kampen diffusion…
A thermodynamically consistent particle-based model for fluid dynamics with continuous velocities and a non-ideal equation of state is presented. Excluded volume interactions are modeled by means of biased stochastic multiparticle…
A compressible laminar boundary layer developing over an isotropic porous substrate is investigated by asymptotic and numerical methods. The substrate is modeled as an array of cubes. The momentum and enthalpy balance equations are derived…
Polymer brushes are attractive as surface coatings for a wide range of applications, from fundamental research to everyday life, and also play important roles in biological systems. How colloids (e.g., functional nanoparticles, proteins,…
The aim of this work is to analyze the entropy, entropy flux and entropy supply rate of granular fluids within the frameworks of the Boltzmann equation and continuum thermodynamics. It is shown that the entropy inequality for a granular gas…
Phoretic colloids self-propel thanks to surface flows generated in response to surface gradients (thermal, electrical, or chemical), that are self-induced and/or generated by other particles. Here we present a scalable and versatile…
A stochastic model for the dynamics of enzymatic catalysis in explicit, effective solvents under physiological conditions is presented. Analytically-computed first passage time densities of a diffusing particle in a spherical shell with…