Related papers: Mapping a Homopolymer onto a Model Fluid
A brief review of modeling and simulation methods for a study of polymers at interfaces is provided. When studying truly multiscale problems as provided by realistic polymer systems, coarse graining is practically unavoidable. In this…
We present a proof of the generalized Kramers-Pasternack relation using the hyper-radial equation approach. Following Kramers' method, we manipulate the radial equation by multiplying it with an expression closely related to terms in the…
We consider the model for the distribution of a long homopolymer in a potential field. The typical shape of the polymer depends on the temperature parameter. We show that at a critical value of the temperature the transition occurs from a…
We study the vapour-liquid phase behaviour of an ionic fluid confined in a random porous matrix formed by uncharged hard sphere particles. The ionic fluid is modelled as an equimolar binary mixture of oppositely charged equisized hard…
Interfaces are a most common motif in complex systems. To understand how the presence of interfaces affect hydrophobic phenomena, we use molecular simulations and theory to study hydration of solutes at interfaces. The solutes range in size…
We produce a decomposition of the parameter space of the $A$-hypergeometric system associated to a projective monomial curve as a union of an arrangement of lines and its complement, in such a way that the analytic behavior of the solutions…
We develop a theory for the description of ionic liquids (ILs) confined in a porous medium formed by a matrix of immobile randomly placed uncharged particles. The IL is modelled as an electroneutral mixture of hardsphere anions and flexible…
A fundamental theory is presented for the mechanical response of polymer networks undergoing large deformation which seamlessly integrates statistical mechanical principles with macroscopic thermodynamic constitutive theory. Our formulation…
For a class of flows on polytopes, including many examples from Evolutionary Game Theory, we describe a piecewise linear model which encapsulates the asymptotic dynamics along the heteroclinic network formed out of the polytope's vertexes…
Persistent homology is a popular tool in Topological Data Analysis. It provides numerical characteristics of data sets which reflect global geometric properties. In order to be useful in practice, for example for feature generation in…
Condensed-phase spectral line shapes encode the strength and timescale of interactions between molecules and their environments, yet these ideas are often difficult to introduce at the undergraduate level due to their reliance on formal…
We study the properties of a polycarbonate melt near a nickel surface as a model system for the interaction of polymers with metal surfaces by employing a multiscale modeling approach. For bulk properties a suitably coarse grained bead…
We compute the phase diagram of a one-dimensional model of spinless fermions with pair-hopping and nearest-neighbor interaction, first introduced by Ruhman and Altman, using the density-matrix renormalization group combined with various…
The thermodynamics and the dynamics of particle systems with infinite-range coupling display several unusual and new features with respect to systems with short-range interactions. The Hamiltonian Mean Field (HMF) model represents a…
The construction of a generalized (higher-order) nonlinear thermo-hydrodynamics, based on a nonequilibrium ensemble formalism has been presented in the preceding article. The working of such theory is illustrated in the present one. We…
The spherical-harmonics expansion is a mathematically rigorous procedure and a powerful tool for the representation of potential energy surfaces of interacting molecular systems, determining their spectroscopic and dynamical properties,…
We consider a flat lattice of dipoles modeled by harmonic oscillators interacting with the electromagnetic field in dipole approximation. Eliminating the variables from the coupled equations of motion, we come to effective Maxwell…
A comparative study of the Homotopy Analysis method and an improved Renormalization Group method is presented in the context of the Rayleigh and the Van der Pol equations. Efficient approximate formulae as functions of the nonlinearity…
Solving large polynomial systems with coefficient parameters are ubiquitous and constitute an important class of problems. We demonstrate the computational power of two methods--a symbolic one called the Comprehensive Gr\"obner basis and a…
We present a lattice model for polymer solutions, explicitly incorporating interactions with a bath of solvent and cosolvent molecules. By exploiting the well-known analogy between polymer systems and the $O(n)$-vector spin model in the…