Related papers: Variable-lattice model of multi-component systems.…
A multiscale theory of interacting continuum mechanics and thermodynamics of mixtures of fluids, electrodynamics, polarization and magnetization is proposed. The mechanical (reversible) part of the theory is constructed in a purely…
We define a lattice model for the interaction of a polymer with water. We solve the model in a suitable approximation. In the case of a non-polar homopolymer, for reasonable values of the parameters, the polymer is found in a non-compact…
The moir\'e superlattice system provides an excellent platform for exploring various novel quantum phenomena. To theoretically tackle the diverse correlated and topological states emerging from moir\'e superlattices, one usually adopts an…
We introduce a new computational framework for estimating parameters in generalized generalized linear models (GGLM), a class of models that extends the popular generalized linear models (GLM) to account for dependencies among observations…
We introduce a lattice model of glass transition in polymer globules. This model exhibits a novel scenario of ergodicity breaking in which the disjoint regions of phase space do not arise uniformly, but as small chambers whose number…
Over the past few decades, tremendous progress has been made in the development of particle-based discrete simulation methods versus the conventional continuum-based methods. In particular, the lattice Boltzmann (LB) method has evolved from…
We use computer simulation to study the layer-by-layer growth of particle structures in a lattice gas, taking the number of incorporated vacancies as a measure of the quality of the grown structure. By exploiting a dynamic scaling relation…
When compressed, certain lattices undergo phase transitions that may allow nuclei to gain significant kinetic energy. To explore the dynamics of this phenomenon, we develop a framework to study Coulomb coupled N-body systems constrained to…
We present a thermodynamically consistent theoretical framework for lyotropic liquid crystals (LCs) based on the GENERIC (General Equation for the Non-Equilibrium Reversible-Irreversible Coupling) formalism. This formalism ensures…
The versatile physical properties of heterogeneous materials are intimately related to their complex microstructures, which can be statistically characterized and modelled using various spatial correlation functions containing key…
An analysis of the random lattice gas in the annealed limit is presented. The statistical mechanics of disordered lattice systems is briefly reviewed. For the case of the lattice gas with an arbitrary uniform interaction potential and…
We present a highly efficient lattice Boltzmann (LB) kinetic model for thermal liquid-vapor system. Three key components are as beow: (i) a discrete velocity model by Kataoka \emph{et al.} [Phys. Rev. E \textbf{69}, 035701(R)(2004)]; (ii) a…
The composite load model (CLM) proposed by the Western Electricity Coordinating Council (WECC) is gaining increasing traction in industry, particularly in North America. At the same time, it has been recognized that further improvements in…
We present a new method for formulating closures that learn from kinetic simulation data. We apply this method to phase mixing in a simple gyrokinetic turbulent system - temperature gradient driven turbulence in an unsheared slab. The…
We reconsider model II of [J. Chem. Phys. 1968, 49, 1778--1783], a two-dimensional lattice-gas system featuring a crystalline phase and two distinct fluid phases (liquid and vapor). In this system, a particle prevents other particles from…
Phase separation of a two-dimensional van der Waals fluid subject to a gravitational force is studied by numerical simulations based on lattice Boltzmann methods (LBM) implemented with a finite difference scheme. A growth exponent…
We develop a unified continuum modeling framework for viscous fluids and hyperelastic solids using the Gibbs free energy as the thermodynamic potential. This framework naturally leads to a pressure primitive variable formulation for the…
We generalize the hydrodynamic lattice gas model to include arbitrary numbers of particles moving in each lattice direction. For this generalization we derive the equilibrium distribution function and the hydrodynamic equations, including…
The phase behavior of the lattice restricted primitive model (RPM) for ionic systems with additional short-range nearest neighbor (nn) repulsive interactions has been studied by grand canonical Monte Carlo simulations. We obtain a rich…
We develop a model to describe the motional (i.e., external degree of freedom) energy spectra of atoms trapped in a one-dimensional optical lattice, taking into account both axial and radial confinement relative to the lattice axis. Our…