Related papers: Modeling chemo-hydrodynamic interactions of phoret…
Hydrophobic interactions provide driving forces for protein folding, membrane formation, and oil-water separation. Motivated by information theory, the poorly understood nonpolar solute interactions in water are investigated. A simple…
Phoretic mechanisms, whereby gradients of chemical solutes induce surface-driven flows, have recently been used to generate directed propulsion of patterned colloidal particles. When the chemical solutes diffuse slowly, an instability…
In this paper, we present a multi-resolution smoothed particle hydrodynamics (SPH) method for modeling fluid-structure interaction (FSI) problems. By introducing different smoothing lengths and time steps, the spatio-temporal discretization…
Understanding the transport of driven nano- and micro-particles in complex fluids is of relevance for many biological and technological applications. Here we perform hydrodynamic multiparticle collision dynamics simulations of spherical and…
The structure, thermodynamics and slow activated dynamics of the equilibrated metastable regime of glass-forming fluids remains a poorly understood problem of high theoretical and experimental interest. We apply a highly accurate…
Colloidal particles with active boundary layers - regions surrounding the particles where nonequilibrium processes produce large velocity gradients - are common in many physical, chemical and biological contexts. The velocity or stress at…
Building structures with hierarchical order through the self-assembly of smaller blocks is not only a prerogative of nature, but also a strategy to design artificial materials with tailored functions. We explore in simulation the…
Transport phenomena in complex and dynamic microscopic environments are fundamentally shaped by hydrodynamic interactions. In particular, microparticle transport in porous media is governed by the delicate interplay between…
We model the thermodynamics of local structures within the hard sphere liquid at arbitrary volume fractions through the \textit{morphometric} calculation of $n$-body correlations. We calculate absolute free energies of local geometric…
We propose a one-way coupled model that tracks individual primary particles in a conceptually simple cellular flow setup to predict flocculation in turbulence. This computationally efficient model accounts for Stokes drag, lubrication,…
We describe collective-move Monte Carlo algorithms designed to approximate the overdamped dynamics of self-assembling nanoscale components equipped with strong, short-ranged and anisotropic interactions. Conventional Monte Carlo simulations…
Exact and approximate expressions for thermodynamic characteristics of heated matter, which consists of particles with finite mass-widths, are constructed. They are expressed in terms of Fermi/Bose distributions and spectral functions,…
We present a new methodology to analyze complicated multi-physics simulations by introducing a fictitious parameter. Using the method, we study quantum mechanical aspects of an organic molecule in water. The simulation is variationally…
Directed transport of self-propelled particles is numerically investigated in a three-dimensional asymmetric potential. Beside the steric repulsive forces, hydrodynamic interactions between particles have been taken into account in an…
In order to investigate the rheological properties of viscoelastic fluids by mesoscopic hydrodynamics methods, we develop a multi-particle collision dynamics (MPC) model for a fluid of harmonic dumbbells. The algorithm consists of…
Collective phenomena in quantum many-body systems are often described in terms of hydrodynamics, an appropriate framework when the involved particle numbers are effectively macroscopic. We propose to use experiments on expanding clouds of…
Despite a mounting evidence that the same gradients which active colloids use for swimming, induce important cross-interactions (phoretic interaction), they are still ignored in most many-body descriptions, perhaps to avoid complexity and a…
Multiphysics simulations play an essential role in accurately modeling complex interactions across diverse scientific and engineering domains Although neural operators especially the Fourier Neural Operator FNO have significantly improved…
Particle-particle interactions in sedimenting systems have been investigated in the present study considering the many-body hydrodynamic and electrodynamic interactions. These interactions primarily occur in two modes: near-field and…
Modeling dispersed solid phases in fluids still represents a computational challenge when considering a small-scale coupling in wide systems, such as the atmosphere or industrial processes at high Reynolds numbers. A numerical method is…