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We use molecular dynamics simulations to study the behavior of a compressible Lennard-Jones fluid in simple shear flow in a two-dimensional nanochannel. The system is equilibrated in the fluid phase close to the triple point at which gas,…
We perform the analysis of predictions of a classical density functional theory for associating fluids with different association strength concerned with wetting of solid surfaces. The four associating sites water-like models with…
Conventional methods for modeling thermocatalytic systems are typically based on the Kohn-Sham density functional theory (KS-DFT), neglecting the inhomogeneous distributions of gas molecules in the reactive environment. However, industrial…
The transition of hypersonic boundary layer can lead to a several-fold increase in surface heat flux and skin friction for the aircraft, significantly impacting its flight performance. The corrugated wall, as a passive control method for…
Impacts play a fundamental role in shaping the physical and chemical properties of the objects in our Solar System. Given the challenges in replicating such collisions through laboratory experiments, computer simulations are an important…
We investigate properties of dense suspensions and sediments of small spherical silt particles by means of a combined Molecular Dynamics (MD) and Stochastic Rotation Dynamics (SRD) simulation. We include van der Waals and effective…
We study the phase ordering dynamics of a two dimensional model colloidal solid using molecular dynamics simulations. The colloid particles interact with each other with a Hamaker potential modified by the presence of equatorial "patches"…
This paper presents a numerical method for the simulation of fluid-structure interaction specifically tailored to interactions between Newtonian fluids and a large number of slender viscoelastic Cosserat rods. Because of their high…
Flow-Induced Vibrations (FIV) of an elastically mounted circular cylinder are investigated by means of two-dimensional simulations. A mechanical coupling between cross-flow translation and rotation provides a single degree-of-freedom system…
The rheology of pressure-driven flows of two-dimensional dense monodisperse emulsions in neutral wetting microchannels is investigated by means of mesoscopic lattice simulations, capable of handling large collections of droplets, in the…
The systematic errors due to the practical implementation of the Contact Dynamics method for simulation of dense granular media are examined. It is shown that, using the usual iterative solver to simulate a chain of rigid particles,…
The yet virtually unexplored class of soft colloidal rods with small aspect ratio is investigated and shown to exhibit a very rich phase and dynamic behavior, spanning from liquid to nearly melt state. Instead of nematic order, these short…
In this work, we investigate the fundamental physical mechanism of the transition from Darcy to inertial (Darcy-Forchheimer) regime in steady-state flows through porous media, with the focus on vortex formation. We investigate their…
Wrinkling instabilities of thin elastic sheets can be used to generate periodic structures over a wide range of length scales. Viscosity of the thin elastic sheet or its surrounding medium has been shown to be responsible for dynamic…
In this work, we numerically study the elastic contact between isotropic and anisotropic, rigid, randomly rough surfaces and linearly elastic counterfaces as well as the subsequent Reynolds flow through the gap between the two contacting…
The aim of this paper is to propose a new numerical model to simulate 2D vesicles interacting with a newtonian fluid. The inextensible membrane is modeled by a chain of circular rigid particles which are maintained in cohesion by using two…
The operation of a novel nonvolatile memory device based on a conductive ferroelectric/non-ferroelectric thin film multilayer stack is simulated numerically. The simulation involves the self-consistent steady state solution of Poisson's…
We probe the complex rheology of nearly ideal 3d foam by flowing through a narrow column. The foams we investigate have large bubble size, to minimize the effects of coarsening, and are very dry. Foams of this type cannot be studied via…
In this work we consider how surface-adherent bacterial biofilm communities respond in flowing systems. We simulate the fluid-structure interaction and separation process using the immersed boundary method. In these simulations we model and…
Pore-scale observation of vortical flow structures in porous media is a significant challenge in many natural and industrial systems. Vortical structure dynamics is believed to be the driving mechanism in the transition regime in porous…