Related papers: A numerical toy model of Langevin dynamics provide…
This paper focuses on the temporal discretization of the Langevin dynamics, and on different resulting numerical integration schemes. Using a method based on the exponentiation of time dependent operators, we carefully derive a numerical…
A thermodynamic model for a mixture of alkanethiol-coated nanoparticles (NPs) and low molecular weight (non-polymeric) solvent is developed, and calculations of liquid-liquid phase equilibrium for different values of NP core radius,…
We introduce a method to sample the orientational distribution function in computer simulations. The method is based on the exact torque balance equation for classical many-body systems of interacting anisotropic particles in equilibrium.…
Motivated by recent experimental studies probing i) the existence of a mobile layer at the free surface of glasses, and ii) the capillary leveling of polymer nanofilms, we study the evolution of square-wave patterns at the free surface of a…
We present a mesoscopic hydrodynamic model for a spreading drop of volatile partially wetting liquid on a solid porous layer of small thickness. Thereby, evaporation takes place under strong confinement, i.e., we consider a drop that…
Parallel replica dynamics is a method for accelerating the computation of processes characterized by a sequence of infrequent events. In this work, the processes are governed by the overdamped Langevin equation. Such processes spend much of…
Effects of substrate temperature, substrate wettability and particles concentration are experimentally investigated for evaporation of a sessile water droplet containing colloidal particles. Time-varying droplet shapes and temperature of…
The inclusion of convection in stellar evolution models lacks realism, especially near convective-radiative interfaces. Furthermore, the interaction of convection with oscillations prevent us from accurately predicting seismic frequencies,…
We isolate a nano-colloidal droplet of surrogate mucosalivary fluid to gain fundamental insights into the infectivity of air borne nuclei during the Covid-19 pandemic. Evaporation experiments are performed with salt-water solutions seeded…
Spontaneous fission of 252Cf and fusion-induced fission of 250Cf are investigated within a multi-dimensional Langevin model. The potential-energy surface is calculated in the macroscopic-microscopic LSD+Yukawa-folded approach using the…
The present study deals with the finite element discretization of nanofluid convective transport in an enclosure with variable properties. We study the Buongiorno model, which couples the Navier-Stokes equations for the base fluid, an…
This article introduces a new efficient particle method for the numerical simulation of crystallization and precipitation at the pore scale of real rock geometries extracted by X-Ray tomography. It is based on the coupling between…
We provide a quantitative description of the evolution of memory from the apparently random Markovian dynamics of a pair of optically trapped colloidal microparticles in water. The particles are trapped in very close proximity of each other…
We introduce a constructive framework to learn effective Langevin equations from stationary time series. Unlike conventional approaches that require iterative calibration to match target statistics, our construction guarantees the observed…
We construct an infinite particle/infinite volume Langevin dynamics on the space of configurations in $\R^d$ having velocities as marks. The construction is done via a limiting procedure using $N$-particle dynamics in cubes…
We analyze the slow, glassy structural relaxation as measured through collective and tagged-particle density correlation functions obtained from Brownian dynamics simulations for a polydisperse system of quasi-hard spheres in the framework…
The dynamical response of Coulomb-interacting particles in nano-clusters are analyzed at different temperatures characterizing their solid- and liquid-like behavior. Depending on the trap-symmetry, both the spatial and temporal correlations…
We study a neural network model in which both neurons and synaptic interactions evolve in time simultaneously. The time evolution of synaptic interactions is described by a Langevin equation including a Hebbian learning term, and a bias…
Emergent phenomena share the fascinating property of not being obvious consequences of the design of the system in which they appear. This characteristic is no less relevant when attempting to simulate such phenomena, given that the outcome…
The interaction of mass-selected atomic clusters and nanoparticles with surfaces attracts strong interest in view of fundamental research and technological applications. Understanding dynamics of the deposition process is important for…