相关论文: CFD-DEM study of mixing in a monodispersed solid-l…

We review a dynamical approach to non-equilibrium MD (D-NEMD). We show how, using a proper simulation setup, is possible to treat interesting cases in which the initial condition is a stationary non-equilibrium state produced by a suitable…

We report on a new method to characterize nano-hydrodynamic properties at the liquid/solid interface relying solely on the measurement of the thermal motion of confined colloids. Using Fluorescence Correlation Spectroscopy (FCS) to probe…

We investigate the behavior of colloidal suspensions with different volume fractions confined between parallel walls under a range of steady shears. We model the particles using molecular dynamics (MD) with full hydrodynamic interactions…

The description of hydrodynamic interactions between a particle and the surrounding liquid, down to the nanometer scale, is of primary importance since confined liquids are ubiquitous in many natural and technological situations. In this…

A previously developed fundamental measure fucntional [J. Chem. Phys. vol.107, 6379 (1997)] is used to study the phase behavior of a system of parallel hard cubes. The single-component fluid exhibits a continuous transition to a solid with…

A particle dynamics-based hybrid model, consisting of monodisperse spherical solid particles and volume-averaged gas hydrodynamics, is used to study traveling planar waves (one-dimensional traveling waves) of voids formed in gas-fluidized…

This study presents and calibrates a Discrete Element Method (DEM) contact model for wet granular materials in the pendular regime. The model extends a previously calibrated dry contact formulation by incorporating liquid bridges that…

A finite element method for solving nonlinear differential equations on a grid, with potential applicability to computational fluid dynamics (CFD), is developed and tested. The current method facilitates the computation of solutions of a…

Predicting the outcome of jet-milling based on the knowledge of process parameters and starting material properties is a task still far from being accomplished. Given the technical difficulties in measuring thermodynamics, flow properties…

Sheared granular layers undergoing stick slip behavior are broadly employed to study the physics and dynamics of earthquakes. Here, a two dimensional implementation of the combined finite discrete element method (FDEM), which merges the…

The immersed finite element-finite difference (IFED) method is a computational approach to modeling interactions between a fluid and an immersed structure. This method uses a finite element (FE) method to approximate the stresses and forces…

The finite element simulation of dynamic wetting phenomena, requiring the computation of flow in a domain confined by intersecting a liquid-fluid free surface and a liquid-solid interface, with the three-phase contact line moving across the…

In this work, we review the framework of the Virtual Element Method (VEM) for a model in magneto-hydrodynamics (MHD), that incorporates a coupling between electromagnetics and fluid flow, and allows us to construct novel discretizations for…

Motivated by the very low diffusivity recently found in ab initio simulations of liquid water, we have studied its dependence with temperature, system size, and duration of the simulations. We use ab initio molecular dynamics (AIMD),…

The use of molecular dynamics (MD) simulations has led to promising results to unravel the atomistic origins of adhesive wear, and in particular for the onset of wear at nanoscale surface asperities. However, MD simulations come with a high…

A flexible fiber model based on the discrete element method (DEM) is presented and validated for the simulation of uniaxial compression of flexible fibers in a cylindrical container. It is found that the contact force models in the DEM…

This work presents the mathematical and computational aspects of a smooth dissipative particle dynamics with dynamic virtual particle allocation method (SDPD-DV) for modeling and simulation of mesoscopic fluids in wall-bounded domains. The…

We develop a diffuse solid method that is versatile and accurate for modeling wetting and multiphase flows in highly complex geometries. In this scheme, we harness N + 1-component phase field models to investigate interface shapes and flow…

The present article proposes a partitioned Dirichlet-Neumann algorithm, that allows to address unique challenges arising from a novel mixed-dimensional coupling of very slender fibers embedded in fluid flow using a regularized mortar-type…

The molecular mechanism of slip at the interface between polymer melts and weakly attractive smooth surfaces is investigated using molecular dynamics simulations. In agreement with our previous studies on slip flow of shear-thinning fluids,…