Related papers: A Reverse Non-Equilibrium Molecular Dynamics (RNEM…
Simulating particle dynamics with high fidelity is crucial for solving real-world interaction and control tasks involving liquids in design, graphics, and robotics. Recently, data-driven approaches, particularly those based on graph neural…
The continuum equations of fluid mechanics are rederived with the intention of keeping certain mechanical and thermodynamic concepts separate. A new "mechanical" mass density is created to be used in computing inertial quantities, whereas…
We introduce the model of inelastic hard spheres with random restitution coefficient $\alpha$, in order to account for the fact that, in a vertically shaken granular system interacting elastically with the vibrating boundary, the energy…
Electron heat flux is an important and often dominant mechanism of energy transport in a variety of collisional plasmas in a confined fusion or astrophysical context. While nonlocal conductive heat transport, driven by strong temperature…
Understanding the flow behavior of complex concentrated slurries is of tremendous importance for industrial waste management. In this study, the transport of three-phase oil sands tailings in a horizontal pipeline is simulated via the…
In this paper, an upwind GFDM is developed for the coupled heat and mass transfer problems in porous media. GFDM is a meshless method that can obtain the difference schemes of spatial derivatives by using Taylor expansion in local node…
In this paper the projection hybrid FV/FE method presented in Busto et al. 2014 is extended to account for species transport equations. Furthermore, turbulent regimes are also considered thanks to the $k-\varepsilon$ model. Regarding the…
Computer simulation is an important tool for scientific progress, especially when lab experiments are either extremely costly and difficult or lack the required resolution. However, all of the simulation methods come with limitations. In…
We present a complete reciprocal description of particle motion inside multi-component fluids that extends the conventional Onsager formulation of non-equilibrium transport to systems where the thermodynamic forces are non-uniform on the…
The Enskog-Landau kinetic equation is considered to describe non-equilibrium processes of a mixture of charged hard spheres. This equation has been obtained in our previous papers by means of the non-equilibrium statistical operator method.…
In this report, we propose a divergence-free preserving mixed finite element method (FEM) for the system of nonlinear fourth-order thermally driven active fluid equations. By introducing two auxiliary variables, we lower the complexity of…
We evaluate the thermal conductivity of a model nanofluid at various volume fractions of nanoparticles with equilibrium (EMD) and non-equilibrium (NEMD) molecular dynamics simulations. The Green-Kubo formalism is used for the EMD…
We propose a modified suspension balance model (SBM) for the flow of red blood cells (RBCs) and other deformable particle suspensions in confined geometries. Specifically, the method includes the hydrodynamic lift force generated by…
A fast spectral method (FSM) is developed to solve the Uehling-Uhlenbeck equation for quantum gas mixtures with generalized differential cross-sections. Spatially-homogeneous relaxation problems are used to demonstrate that the FSM…
We present a multiscale simulation algorithm for amorphous materials, which we illustrate and validate in a canonical case of dense granular flow. Our algorithm is based on the recently proposed Spot Model, where particles in a dense random…
The Non-Markovian Stochastic Schrodinger Equation (NMSSE) offers a promising approach for open quantum simulations, especially in large systems, owing to its low scaling complexity and suitability for parallel computing. However, its…
It was recently demonstrated that a simple Monte Carlo (MC) algorithm involving the swap of particle pairs dramatically accelerates the equilibrium sampling of simulated supercooled liquids. We propose two numerical schemes integrating the…
To simulate the dynamics of fluid with polydisperse particles on macroscale level, one has to solve hydrodynamic equations with several relaxation terms, representing momentum transfer from fluid to particles and vice versa. For small…
We analyze the transport properties of a low density ensemble of identical macroscopic particles immersed in an active fluid. The particles are modeled as inelastic hard spheres (granular gas). The non-homogeneous active fluid is modeled by…
The nested sampling algorithm has been shown to be a general method for calculating the pressure-temperature-composition phase diagrams of materials. While the previous implementation used single-particle Monte Carlo moves, these are…