Related papers: Thermodynamically Consistent Algorithms for Models…
A field theory and the associated structure-preserving geometric Particle-In-Cell (PIC) algorithm are developed to study low frequency electrostatic perturbations with fully kinetic ions and adiabatic electrons in magnetized plasmas. The…
We introduce a framework for model reduction of chain models for dissipative particle dynamics (DPD) simulations, where the characteristic size of the chain, pressure, density, and temperature are preserved. The proposed methodology reduces…
We consider the numerical approximation of a continuum model of antiferromagnetic and ferrimagnetic materials. The state of the material is described in terms of two unit-length vector fields, which can be interpreted as the magnetizations…
We present a consistent high-order staggered Lagrangian hydrodynamics framework designed to reconcile an underlying disparity in existing curvilinear formulations: the mismatch between quadrature-based "strong" mass conservation and the…
We consider a diffuse interface model describing a ternary system constituted by a conductive diblock copolymer and a homopolymer acting as solvent. The resulting dynamics is modeled by two Cahn--Hilliard--Oono equations for the copolymer…
We derive a continuum sharp-interface model for moving contact lines with soluble surfactants in a thermodynamically consistent framework. The model consists of the isothermal two-phase incompressible Navier-Stokes equations for the fluid…
Exact diagonalization is a powerful numerical method to study isolated quantum many-body systems. This paper provides a review of numerical algorithms to diagonalize the Hamiltonian matrix. Symmetry and the conservation law help us perform…
A fully discrete Galerkin scheme for a thermodynamically consistent transient Max-well-Stefan system for the mass particle densities, coupled to the Poisson equation for the electric potential, is investigated. The system models the…
We investigate the phase behavior of symmetric AB diblock copolymers confined into a thin film. The film boundaries are parallel, impenetrable and attract the A component of the diblock copolymer. Using a self-consistent field technique…
A Cahn-Hilliard-Allen-Cahn phase-field model coupled with a heat transfer equation, particularly with full non-diagonal mobility matrices, is studied. After reformulating the problem w.r.t. the inverse of temperature, we proposed and…
In this paper we study a class of physical systems that combine a finite number of mechanical and thermodynamic observables. We call them finite dimensional thermo-mechanical systems. We introduce these systems by means of simple examples.…
We show that standard algorithms for anisotropic diffusion based on centered differencing (including the recent symmetric algorithm) do not preserve monotonicity. In the context of anisotropic thermal conduction, this can lead to the…
We develop a continuum theory for thermoelectric bodies following the framework of continuum mechanics and conforming to general principles of thermodynamics. For steady states, the governing equations for local fields are intrinsically…
This paper is part of a program to combine a staggered time and staggered spatial discretization of continuum wave equations so that important properties of the continuum that are proved using vector calculus can be proven in an analogous…
This article presents a new numerical scheme for the discretization of dissipative particle dynamics with conserved energy. The key idea is to reduce elementary pairwise stochastic dynamics (either fluctuation/dissipation or thermal…
We review and compare numerical methods that simultaneously control temperature while preserving the momentum, a family of particle simulation methods commonly used for the modelling of complex fluids and polymers. The class of methods…
Convection-diffusion-reaction equations model the conservation of scalar quantities. From the analytic point of view, solution of these equations satisfy under certain conditions maximum principles, which represent physical bounds of the…
The self-consistent field theory is a popular and highly successful theoretical framework for studying equilibrium (co)polymer systems at the mesoscopic level. Dynamic density functionals allow one to use this framework for studying…
Consider the macroscale modelling of microscale spatiotemporal dynamics. Here we develop a new approach to ensure coarse scale discrete models preserve important self-adjoint properties of the fine scale dynamics. The first part explores…
We introduce a new hybridized discontinuous Galerkin method for the incompressible magnetohydrodynamics equations. If particular velocity, pressure, magnetic field, and magnetic pressure spaces are employed for both element and trace…