Related papers: Canonical Distribution Functions in Polymer Dynami…
The quasi-chemical organization of the potential distribution theorem -- molecular quasi-chemical theory (QCT) -- enables practical calculations and also provides a conceptual framework for molecular hydration phenomena. QCT can be viewed…
The present paper proposes a Statistical Mechanics approach to the inherent states of glassy systems and granular materials, following the original ideas developed by Edwards for granular materials. Two lattice models, a diluted Spin Glass…
A new class of integro-partial differential equation models is derived for the prediction of granular flow dynamics. These models are obtained using a novel limiting averaging method (inspired by techniques employed in the derivation of…
Quasi-logarithmic combinatorial structures are a class of decomposable combinatorial structures which extend the logarithmic class considered by Arratia, Barbour and Tavar\'{e} (2003). In order to obtain asymptotic approximations to their…
This paper presents a conforming finite element discretization of the streamfunction formulation of the one-layer stationary quasi-geostrophic equations, which are a commonly used model for the large scale wind- driven ocean circulation.…
We construct an equilibrium partition function for a non-relativistic fluid and use it to constrain the dynamics of the system. The construction is based on light cone reduction, which is known to reduce the Poincare symmetry to Galilean in…
In this paper, we study the large--time behavior of a numerical scheme discretizing drift-- diffusion systems for semiconductors. The numerical method is finite volume in space, implicit in time, and the numerical fluxes are a…
We investigate the theory of thermodynamic formalism from the perspective of computable analysis, with a special focus on the computability of equilibrium states. Specifically, we develop two complementary general approaches to verify the…
We present a kinetic model of crystal growth of polymers of finite molecular weight. Experiments help to classify polymer crystallization broadly into two kinetic regimes. One is observed in melts or in high molar mass polymer solutions and…
This paper presents a canonical dual approach for solving a nonlinear population growth problem governed by the well-known logistic equation. Using the finite difference and least squares methods, the nonlinear differential equation is…
A gauge-invariant Wigner quasi-distribution function for charged particles in classical electromagnetic fields is derived in a rigorous way. Its relation to the axial gauge is discussed, as well as the relation between the kinetic and…
A theoretical scheme for the treatment of an open molecular system with electrons and nuclei is proposed. The idea is based on the Grand Canonical description of a quantum region embedded in a classical reservoir of molecules. Electronic…
We use the method of Compensated Compactness and Kinteic Formulation to show that the almost everywhere limit of quasilinear viscous approximations is the unique entropy solution (in the sense of {\it F. Otto}) of the corresponding scalar…
In this work we introduce a geometric integrator for molecular dynamics simulations of physical systems in the canonical ensemble. In particular, we consider the equations arising from the so-called density dynamics algorithm with any…
A consolidated mathematical formulation of the spherically symmetric mass-transfer problem is presented, with the quasi-stationary approximating equations derived from a perturbation point of view for the leading-order effect. For the…
In this paper, we construct a type of interacting particle systems to approximate a class of stochastic different equations whose coefficients depend on the conditional probability distributions of the processes given partial observations.…
A simple and transparent derivation of the formally exact probability distribution for classical non-equilibrium systems is given. The corresponding stochastic, dissipative equations of motion are also derived.
We provide a new method to approximate a (possibly discontinuous) function using Christoffel-Darboux kernels. Our knowledge about the unknown multivariate function is in terms of finitely many moments of the Young measure supported on the…
The contour integrals, occurring in the arbitrary-order phase-integral quantization conditions given in a previous paper, are in the first- and third-order approximations expressed in terms of complete elliptic integrals in the case that…
An analytic, asymptotic approximation of the nonlinear steady-state equations for viscoelastic creeping flow, modeled by the Oldroyd-B equations with polymer stress diffusion, is derived. Near the extensional stagnation point the flow…