相关论文: Mapping Reactive Flow Patterns in Monolithic Nanop…
Catalytic engines can use hydrogen peroxide as a chemical fuel in order to drive motion at the microscale. The chemo-mechanical actuation is a complex mechanism based on the interrelation between catalytic reactions and…
Many physical systems are described by probability distributions that evolve in both time and space. Modeling these systems is often challenging to due large state space and analytically intractable or computationally expensive dynamics. To…
Experimental data measured in sqrt(s)=2.76 TeV Pb+Pb collisions at the LHC show a significant enhancement of events with an unbalanced pair of reconstructed jet momenta in comparison with p+p collisions. This enhancement of momentum…
This paper presents an improved immersed moving boundary model (IBM) for solving complex fluid-particle interactions in a coupled lattice Boltzmann method (LBM) and an adhesive discrete element method (DEM), using the "partially saturated…
The study of the underlying physics of soft flowing materials depends heavily on numerical simulations, due to the complex structure of the governing equations reflecting the competition of concurrent mechanisms acting at widely disparate…
Polymer dynamics in a turbulent flow is a problem spanning several orders of magnitude of length and time scales. A microscopic simulation covering all those scales from the polymer segment to the inertial scale of turbulence seems…
The lattice Boltzmann method with enhanced collisions and rest particles is used to calculate the flow in a two-dimensional lid-driven cavity. The abilitity of this method to compute the velocity and the pressure of an incompressible fluid…
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 employ the Partially Saturated Cells Method (PSM) to model the interaction between the fluid flow and solid moving objects as an extension to the conventional lattice Boltzmann method. We introduce an efficient and accurate method for…
The sustainable production of many bulk chemicals relies on heterogeneous catalysis. The rational design or improvement of the required catalysts critically depends on insights into the underlying mechanisms at the atomic scale. In recent…
Lattice Boltzmann Models (LBM) and Phase Field Models (PFM) are two of the most widespread approaches for the numerical study of multicomponent fluid systems. Both methods have been successfully employed by several authors but, despite…
A multicomponent extension of our recent theory of simple fluids [ U.M.B. Marconi and S. Melchionna, Journal of Chemical Physics, 131, 014105 (2009) ] is proposed to describe miscible and immiscible liquid mixtures under inhomogeneous, non…
Discrete particle simulations are widely used to study large-scale particulate flows in complex geometries where particle-particle and particle-fluid interactions require an adequate representation but the computational cost has to be kept…
We present the detailed analysis of the diffusive transport of spatially inhomogeneous fluid mixtures and the interplay between structural and dynamical properties varying on the atomic scale. The present treatment is based on different…
Lattice Boltzmann Methods (LBM) stand out for their simplicity and computational efficiency while offering the possibility of simulating complex phenomena. While they are optimal for Cartesian meshes, adapted meshes have traditionally been…
Markov state models (MSMs) are a powerful tool to analyze and coarse-grain complex dynamical data into interpretable kinetic processes. This capability is particularly important in heterogeneous catalysis, where a medley of reactants and…
Microscopic models of reaction-diffusion processes on the cell membrane can link local spatiotemporal effects to macroscopic self-organized patterns often observed on the membrane. Simulation schemes based on the microscopic lattice method…
A stochastic model for the dynamics of enzymatic catalysis in explicit, effective solvents under physiological conditions is presented. Analytically-computed first passage time densities of a diffusing particle in a spherical shell with…
We present a multiscale approach to the modeling of polymer dynamics in the presence of a fluid solvent. The approach combines Langevin Molecular Dynamics (MD) techniques with a mesoscopic Lattice-Boltzmann (LB) method for the solvent…
Lattice Boltzmann method (LBM) is a promising approach to solving Computational Fluid Dynamics (CFD) problems, however, its nature of memory-boundness limits nearly all LBM algorithms' performance on modern computer architectures. This…