Related papers: Entropic pressure in lattice models for polymers
We consider a wide class of linear stochastic problems driven off the equilibrium by a multiplicative asymmetric force. The force brakes detailed balance, maintained otherwise, thus producing entropy. The large deviation function of the…
Entropy is a quantity for counting physical degrees of freedom in a system. At a finite temperature, one can use thermal entropy to study thermodynamical properties. At zero temperature, entanglement entropy is expected to provide a…
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…
The elastic response is studied of a single flexible chain grafted on a rigid plane and an ensemble of non-interacting tethered chains. It is demonstrated that the entropic theory of rubber elasticity leads to conclusions that disagree with…
Using exact enumerations of self-avoiding walks (SAWs) we compute the inhomogeneous pressure exerted by a two-dimensional end-grafted polymer on the grafting line which limits a semi-infinite square lattice. The results for SAWs show that…
This paper presents a spatially and temporally adaptive boundary condition to specify the volumetric flux for lattice Boltzmann methods. The approach differs from standard velocity boundary conditions because it allows the velocity to vary…
Under high cylindrical confinement, segments of ring polymers can be localized along the long axis of the cylinder by introducing internal loops within the ring polymer. The emergent organization of the polymer segments occurs because of…
We systematically analyze the tensorial structure of the lattice pressure tensors for a class of multi-phase lattice Boltzmann models (LBM) with multi-range interactions. Due to lattice discrete effects, we show that the built-in isotropy…
We consider a model of self-avoiding walk on a lattice with on-site repulsion and an attraction for every vertex of the walk visited on the surface to study force-induced desorption of a linear polymer chain adsorbed on an attractive…
We use Newtonian and overdamped Langevin dynamics to study long flexible polymers dragged by an external force at a constant velocity $v$. The work $W$ by that force depends on the initial state of the polymer and the details of the…
Consider a surface, enclosing a fixed volume, described by a free-energy depending only on the local geometry; for example, the Canham-Helfrich energy quadratic in the mean curvature describes a fluid membrane. The stress at any point on…
We consider lattice gas automata where the lack of semi-detailed balance results from node occupation redistribution ruled by distant configurations; such models with nonlocal interactions are interesting because they exhibit non-ideal gas…
We investigate polymers pulled away from an interacting surface, where the force is applied to the untethered endpoint and at an angle $\theta$ to the surface. We use the canonical self-avoiding walk model of polymers and obtain the phase…
We present and study lattice and off-lattice microscopic models in which particles interact via a local anisotropic rule. The rule induces preferential hopping along one direction, so that a net current sets in if allowed by boundary…
We consider a fully directed self-avoiding walk model on a cubic lattice to mimic the conformations of an infinitely long confined flexible polymer chain; and the confinement condition is achieved by two parallel athermal plates. The…
Consider a state of a system with several subsystems. The entropies of the reduced state on different subsystems obey certain inequalities, provided there is an equivalence relation, and a function measuring volumes or weights of…
We propose a new method for the problems of computing free energy and surface pressure for various statistical mechanics models on a lattice $\Z^d$. Our method is based on representing the free energy and surface pressure in terms of…
We consider a self-avoiding walk model of polymer adsorption where the adsorbed polymer can be desorbed by the application of a force. In this paper the force is applied normal to the surface at the last vertex of the walk. We prove that…
We have developed a simulation model to describe particle adsorption to and desorption from liquid interfaces. Using this model we formulate a closed interfacial equation of state for repulsive elastic spheres. The effect of a long-range…
Polymer entanglements lead to complicated topological constraints and interactions between neighbouring chains in a dense solution or melt. Entanglements can be treated in a mean field approach, within the famous reptation model, since they…