相关论文: A numerical toy model of Langevin dynamics provide…
The so-called 'raspberry' model refers to the hybrid lattice-Boltzmann and Langevin molecular dynamics scheme for simulating the dynamics of suspensions of colloidal particles, originally developed by [V. Lobaskin and B. D\"unweg, New J.…
Results from the state-of-the-art molecular dynamics simulations are presented for both equilibrium and nonequilibrium dynamics following vapor-liquid transition in a single component Lennard-Jones system. We have fixed the overall density…
A simulation model is presented, comprising elastic spheres with a short range attraction. Besides conservative forces, radial- and shear friction, and radial noise are added. The model can be used to simulate colloids, granular solids and…
Magnetophoretic force acting on a rigid spherical cluster of single-domain nanoparticles in a constant-gradient weak magnetic field is investigated numerically using the Langevin dynamics simulation method. Nanoparticles are randomly and…
The dynamics of drop(s) has been simulated by the finite volume/moving mesh interface tracking method (MMIT) with adaptive mesh refining and coarsening. In MMIT, the interface is of zero thickness and moves in a Lagrangian fashion. A number…
For superparamagnetic nanoparticles (SMNPs), it is often claimed that the rapid thermal fluctuations of their magnetic moments negates the magnetic dipolar attraction, hence preventing aggregation in liquid suspension. However we find that…
Biological and synthetic microswimmers display a wide range of swimming trajectories depending on driving forces and torques. In this paper we consider a simple overdamped model of self-propelled particles with a constant self-propulsion…
Dynamics simulations of constrained particles can greatly aid in understanding the temporal and spatial evolution of biological processes such as lateral transport along membranes and self-assembly of viruses. Most theoretical efforts in…
We present a deep-learning based tracking objects of interest in walking droplet and granular intruder experiments. In a typical walking droplet experiment, a liquid droplet, known as \textit{walker}, propels itself laterally on the free…
The surface impact and collisions of particle-laden nanodrops are studied using molecular dynamics computer simulations. The drops are composed of Lennard- Jones dimers and the particles are rigid spherical sections of a cubic lattice, with…
Systems with long-range interactions quenched into a metastable state near the pseudospinodal exhibit nucleation that is qualitatively different than the classical nucleation observed near the coexistence curve. We have observed nucleation…
Molecular dynamics simulations are used to model the thermal properties of a fluid containing solid nanoparticles (nanofluid). The flexibility of molecular simulation allows us to consider the effects of particle mass, particle-particle and…
We consider the time evolution of a sessile drop of volatile partially wetting liquid on a rigid solid substrate. Thereby, the drop evaporates under strong confinement, namely, it sits on one of the two parallel plates that form a narrow…
The distribution of liquid water in ice-free clouds determines their radiative properties, a significant source of uncertainty in weather and climate models. Evaporation and turbulent mixing cause a cloud to display large variations in…
The Langevin dynamics is a diffusion process extensively used, in particular in molecular dynamics simulations, to sample Gibbs measures. Some alternatives based on (piecewise deterministic) kinetic velocity jump processes have gained…
The paper considers the dynamics of the spreading liquid droplets after impact on a solid surface. The dynamics of a drop falling on a solid surface is shown using numerical simulation based on the solution of 2D and 3D Navier-Stokes…
The measured time series from complex systems are renowned for their intricate stochastic behavior, characterized by random fluctuations stemming from external influences and nonlinear interactions. These fluctuations take diverse forms,…
We have developed a method to simulate behavior of nanoporous materials in a molecular dynamics code. The nanoporous solid is produced via a spinodal decomposition of a material brought from a supercritical fluid into the two phase…
This article presents a numerical simulation of solvent diffusion in transition metal dichalcogenide based nanomaterials during solvothermal reaction, leading to layer exfoliation and, consequently, a reduction in the average nanoparticle…
We show that a mesoscopic coarse-grained dynamics model which incorporates the transient potential can be formally derived from an underlying microscopic dynamics model. As a microscopic dynamics model, we employ the overdamped Langevin…