Related papers: Real-fluid Transport Property Computations Based o…
The hydrodynamic Burnett equations and the associated transport coefficients are exactly evaluated for generalized inelastic Maxwell models. In those models, the one-particle distribution function obeys the inelastic Boltzmann equation,…
Transport properties play a crucial role in defining materials as insulators, metals, or superconductors. A fundamental parameter in this regard is the Drude weight, which quantify the ballistic transport of charge carriers. In this work,…
We present a coupled Boltzmann and hydrodynamics approach to relativistic heavy ion reactions. This hybrid approach is based on the Ultra-relativistic Quantum Molecular Dynamics (UrQMD) transport approach with an intermediate hydrodynamical…
Immiscible fluid displacement in porous media occurs in several natural and industrial processes. For example, during petroleum extraction from porous rock reservoirs, water is used to displace oil. In this paper, we investigate primary…
Multi-component fluid flow simulations in multi-scale porous structures often involve regions that are under-resolved at practical computational resolutions. Accurately capturing the contributions from these unresolved regions is critical.…
The diffuse-interface model for two-phase flows with soluble surfactants has garnered considerable attention due to its ability to circumvent the need for Robin boundary condition in the bulk surfactant transport equation. However, the…
It is demonstrated by molecular dynamics simulations that liquids interacting via the Buckingham potential are strongly correlating, i.e., have regions of their phase diagram where constant-volume equilibrium fluctuations in the virial and…
This paper explores how competing interactions in the intermolecular potential of fluids affect their structural transitions. This study employs a versatile potential model with a hard core followed by two constant steps, representing wells…
The Boltzmann equation for inelastic Maxwell models is used to analyze nonlinear transport in a granular binary mixture in the steady simple shear flow. Two different transport processes are studied. First, the rheological properties (shear…
The Wiedemann-Franz (WF) law is a fundamental result in solid-state physics that relates the thermal and electrical conductivity of a metal. It is derived from the predominant origin of energy conversion in metals: the motion of quasi-free…
We derive multicomponent relativistic second-order dissipative fluid dynamics from the Boltzmann equations for a reactive mixture of $N_{\text{spec}}$ particle species with $N_q$ intrinsic quantum numbers (e.g. electric charge, baryon…
We present recent developments in lattice Boltzmann modeling for multi-component flows, implemented on the platform of a general purpose, arbitrary geometry solver PowerFLOW. Presented benchmark cases demonstrate the method's accuracy and…
We develop an empirical potential for silicon which represents a considerable improvement over existing models in describing local bonding for bulk defects and disordered phases. The model consists of two- and three-body interactions with…
The Boltzmann equation for $d$-dimensional inelastic Maxwell models is considered to analyze transport properties for monodisperse gas-solid suspensions. The influence of the interstitial gas phase on the dynamics of solid particles is…
Aiming to combine density functional theory (DFT) and wavefunction theory, we study a mapping from the many-body interacting system to an effectively-interacting Kohn-Sham system instead of a non-interacting Kohn-Sham system. Because a…
The immersed boundary lattice Boltzmann method (IB-LBM) has been widely used in the simulation of fluid-solid interaction and particulate flow problems, since proposed in 2004. However, it is usually a non-trivial task to retain the…
We introduce a numerical method for investigating interfacial flows coupled with frictional solid particles. Our method combines the lattice Boltzmann method (LBM) to model the dynamics of a two-component fluid and the discrete element…
We apply the semi-classical quantum Boltzmann formalism for the computation of transport properties to multilayer graphene. We compute the electrical conductivity as well as the thermal conductivity and thermopower for Bernal-stacked…
Entropic lattice Boltzmann methods have been developed to alleviate intrinsic stability issues of lattice Boltzmann models for under-resolved simulations. Its reliability in combination with moving objects was established for various…
We investigate the interfacial phase behavior of a binary fluid mixture composed of repulsive point Yukawa particles. Using a simple approximation for the Helmholtz free energy functional, which yields the random phase approximation (RPA)…