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We propose inflow and outflow boundary conditions for the compressible Navier-Stokes equations and prove that they allow a priori estimates of the entropy, mass and total energy. Furthermore, we demonstrate how to approximate these boundary…
We introduce a second-order numerical scheme for compressible atmospheric motions at small to planetary scales. The collocated finite volume method treats the advection of mass, momentum, and mass-weighted potential temperature in…
In this work, a concise and robust computational framework is proposed to simulate compressible multi-phase multi-component flows. To handle both shocks and material interfaces, a positivity-preserving ENO-type scheme is coupled with…
Recent work giving a classification of kinematic and vorticity conservation laws of compressible fluid flow for barotropic equations of state (where pressure is a function only of the fluid density) in $n>1$ spatial dimensions is extended…
We investigate a hydrodynamic system of Navier--Stokes/Cahn--Hilliard type, which describes the motion of a two-phase flow of two incompressible fluids with unmatched densities coupled with a soluble chemical species. Derived from Onsager's…
Volume-filling cross-diffusion equations for the components of a tissue structure are formally derived from mass conservation laws and force balances for the interphase pressures and viscous drag forces in a multiphase approach. The…
We present a set of new energy-stable open boundary conditions for tackling the backflow instability in simulations of outflow/open boundary problems for incompressible flows. These boundary conditions are developed through two steps: (i)…
A recently introduced particle-based model for fluid dynamics with continuous velocities is generalized to model fluids with excluded volume effects. This is achieved through the use of biased stochastic multi-particle collisions which…
Starting from the multi-species Boltzmann equation for a gas mixture, we propose the formal derivation of the isentropic two-phase flow model introduced in [Romenski, E., and Toro, E. F., Comput. Fluid Dyn. J., 13 (2004)]. We examine the…
We model the flow behaviour of dense melts of flexible and semiflexible ring polymers in the presence of walls using a hybrid multiscale approach. Specifically, we perform molecular dynamics simulations and apply the Irving-Kirkwood formula…
We propose a new method to compute the free energy or enthalpy of fluids or disordered solids by computer simulation . The main idea is to construct a reference system by freezing one representative configuration, and then carry out a…
A new and very general technique for simulating solid-fluid suspensions has been described in a previous paper (Part I); the most important feature of the new method is that the computational cost scales with the number of particles. In…
We present a novel multi-fluid model for compressible two-phase flows. The model is derived through a newly developed Stationary Action Principle framework. It is fully closed and introduces a new interfacial quantity, the interfacial work.…
A new time discretization scheme for the numerical simulation of two-phase flow governed by a thermodynamically consistent diffuse interface model is presented. The scheme is consistent in the sense that it allows for a discrete in time…
A complete thermodynamical analysis for a blood model, based on mixture theory, is performed. The model is developed considering the blood as a suspension of red blood cells (solid component) in the plasma (fluid component), and taking into…
We develop structure-preserving numerical methods for the compressible Euler equations, employing potential temperature as a prognostic variable. We construct three numerical fluxes designed to ensure the conservation of entropy and total…
We present a class of thermodynamic systems with constant thermodynamic curvature which, within the context of geometric approaches of thermodynamics, can be interpreted as constant thermodynamic interaction among their components. In…
The existence of large-data weak entropy solutions to a nonisothermal immiscible compressible two-phase unsaturated flow model in porous media is proved. The model is thermodynamically consistent and includes temperature gradients and…
Realistic two-phase flow problems of interest often involve high $Re$ flows with high density ratios. Accurate and robust simulation of such problems requires special treatments. In this work, we present a consistent, energy-conserving…
Molecular dynamics simulations and instantaneous normal mode (INM) analysis of a fluid with core-softened pair interactions and water-like liquid-state anomalies are performed to obtain an understanding of the relationship between…