Related papers: Entropy of polydisperse chains: solution on the Hu…
Although lattice gases composed by $k$NN particles, forbidding up to their $k$th nearest neighbors of being occupied, have been widely investigated in literature, the location and the universality class of the fluid-columnar transition in…
We demonstrate that in the space of distributions operated on by lattice Boltzmann methods that there exists a vicinity of the equilibrium where collisions with entropy balance are possible and, at the same time, there exist an area of…
When injected through a contraction, high molecular weight polymer solutions exhibit a sharp increase of apparent viscosity which originates from stretching polymer chains above a critical extension rate. This chain stretching can also…
Macroscopic mechanical properties of polymers are determined by their microscopic molecular chain distribution. Due to randomness of these molecular chains, probability theory has been used to find their micro-states and energy…
Computing equilibrium concentrations of molecular complexes is generally analytically intractable and requires numerical approaches. In this work we focus on the polymer-monomer level, where indivisible molecules (monomers) combine to form…
This paper deals with the existence of global weak solutions for a wide class of (multiple species) cross-diffusions systems. The existence is based on two different ingredients: an entropy estimate giving some gradient control and a…
We present a novel and rigorous approach to the Langevin dynamics of ideal polymer chains subject to internal distance constraints. The permanent constraints are modelled by harmonic potentials in the limit when the strength of the…
Entanglement plays a prominent role in the study of condensed matter many-body systems: Entanglement measures not only quantify the possible use of these systems in quantum information protocols, but also shed light on their physics.…
We consider a strictly substochastic matrix or an stochastic matrix with absorbing states. By using quasi-stationary distributions one shows there is a canonical associated stationary Markov chain. Based upon $2-$stringing representation of…
The most efficient way to pack equally sized spheres isotropically in 3D is known as the random close packed state, which provides a starting point for many approximations in physics and engineering. However, the particle size distribution…
Trimers are chains formed by two lattice edges, and therefore three monomers. We consider trimers placed on the square lattice, the edges belonging to the same trimer are either colinear, forming a straight rod with unitary statistical…
We propose a computational method to measure the configurational entropy in generic polydisperse glass-formers. In particular, our method resolves issues related to the diverging mixing entropy term due to a continuous polydispersity. The…
Polydisperse systems are commonly encountered when dealing with soft matter in general or any non simple fluid. Yet their treatment within the framework of statistical thermodynamics is a delicate task as the latter has been essentially…
We investigate the entanglement for a model of a particle moving in the lattice (many-body system). The interaction between the particle and the lattice is modelled using Hooke's law. The Feynman path integral approach is applied to compute…
Polymer chains undergoing a continuous adsorption-desorption transition are studied through extensive computer simulations. A three-dimensional self-avoiding walk lattice model of a polymer chain grafted onto a surface has been treated for…
The lattice cluster theory (LCT) for semiflexible linear telechelic melts, developed in paper I, is applied to examine the influence of chain stiffness on the average degree of self-assembly and the basic thermodynamic properties of linear…
A polymer chain pinned in space exerts a fluctuating force on the pin point in thermal equilibrium. The average of such fluctuating force is well understood from statistical mechanics as an entropic force, but little is known about the…
We determine properties of the lattice Boltzmann method for semiclassical fluids, which is based on the Boltzmann equation and the equilibrium distribution function is given either by the Bose-Einstein or the Fermi-Dirac ones. New…
Some results on cross-diffusion systems with entropy structure are reviewed. The focus is on local-in-time existence results for general systems with normally elliptic diffusion operators, due to Amann, and global-in-time existence theorems…
Diffusion of symmetric diblock copolymer chains in macroscopically oriented lamellar block copolymers are studied in a molecular dynamics simulation. Results for diffusion constant both parallel $D_\parallel$ and perpendicular $D_\perp$ to…