Related papers: Rapid multi-component phase-split calculations usi…
This work expands on our recently introduced low Mach enthalpy method [1] for simulating the melting and solidification of a phase change material (PCM) alongside (or without) an ambient gas phase. The method captures PCM's volume change…
This paper presents an extension of the hybrid scheme proposed by Wang et al. (J. Comput. Phys. 229 (2010) 169-180) for numerical simulation of compressible isotropic turbulence to flows with higher turbulent Mach numbers. The scheme still…
The two-phase thermodynamic (2PT) model {[}J. Chem. Phys., \textbf{119}, 11792 (2003){]} provides a promising paradigm to efficiently determine the ionic entropies of liquids from molecular dynamics (MD). In this model, the vibrational…
Simulation of quantum systems promises to deliver physical and chemical predictions for the frontiers of technology. Unfortunately, the exact representation of these systems is plagued by the exponential growth of dimension with the number…
We present an efficient, fully conservative numerical scheme valid in the entire range of highly to weakly compressible flows using a single-fluid four equation approach together with multi-component thermodynamic models. The approach can…
The authors present a new molecular dynamics algorithm for sampling the isothermal-isobaric ensemble. In this approach the velocities of all particles and volume degrees of freedom are rescaled by a properly chosen random factor. The…
We propose a second-order accurate semi-implicit and well-balanced finite volume scheme for the equations of ideal magnetohydrodynamics (MHD) including gravitational source terms. The scheme treats all terms associated with the acoustic…
A coupled system of volume integral and hydrodynamic equations is solved to analyze electromagnetic scattering from nanostructures consisting of metallic and dielectric parts. In the metallic part, the hydrodynamic equation relates the free…
Reductions of the KP-Whitham system, namely the (2+1)-dimensional hydrodynamic system of five equations that describes the slow modulations of periodic solutions of the Kadomtsev-Petviashvili (KP) equation, are studied. Specifically, the…
In this paper, an implicit nonsymplectic exact energy-preserving integrator is specifically designed for a ten-dimensional phase-space conservative Hamiltonian system with five degrees of freedom. It is based on a suitable…
Based on non-equilibrium thermodynamics we derive a set of general equations relating the partial volumetric flow rates to each other and to the total volumetric flow rate in immiscible two-phase flow in porous media. These equations…
In this note we will consider reduction techniques for Hamiltonian systems that are invariant under the action of a compact Lie group $G$ acting by symplectic diffeomorphisms, and the related work on stability of relative equilibria. We…
Among numerical methods for partial differential equations arising from steepest descent dynamics of energy functionals (e.g., Allen-Cahn and Cahn-Hilliard equations), the convex splitting method is well-known to maintain unconditional…
Within general partial-wave mixing, a method for reducing the high dimension of the finite-volume Hamiltonian from Hamiltonian effective field theory is proposed. This method provides a new viewpoint on partial-wave mixing, and a set of…
Phase equilibrium calculation, also known as flash calculation, plays significant roles in various aspects of petroleum and chemical industries. Since Michelsen proposed his milestone studies in 1982, through several decades of development,…
Speed of sound is a key parameter for the compressibility effects in multiphase flow. We present a new approach to do direct numerical simulations on the speed of sound in compressible two-phase flow, based on the stratified multiphase flow…
In order to investigate the rheological properties of viscoelastic fluids by mesoscopic hydrodynamics methods, we develop a multi-particle collision dynamics (MPC) model for a fluid of harmonic dumbbells. The algorithm consists of…
This paper proposes a new Helmholtz decomposition based windowed Green function (HD-WGF) method for solving the time-harmonic elastic scattering problems on a half-space with Dirichlet boundary conditions in both 2D and 3D. The Helmholtz…
A new molecular simulation method for the calculation of vapour-liquid equilibria of mixtures is presented. In this method, the independent thermodynamic variables are temperature and liquid composition. In the first step, one isobaric…
We develop finite element methods for coupling the steady-state Onsager--Stefan--Maxwell equations to compressible Stokes flow. These equations describe multicomponent flow at low Reynolds number, where a mixture of different chemical…