Related papers: Ballistic molecular transport through two-dimensio…
The transport of self-propelled particles such as bacteria and phoretic swimmers through crowded heterogeneous environments is relevant to many natural and engineering processes, from biofilm formation and contamination processes to…
Gases adsorbed within bundles of carbon nanotubes (inside of the nanotubes or in the interstitial channels between the tubes) exhibit a variety of phase transitions with the help of interactions between molecules in neighboring channels or…
The non-equilibrium transport of inhomogeneous and dense gases highly confined by surface is encountered in many engineering applications. For example, in the shale gas production process, methane is extracted from ultra-tight pores under…
In this work we present a molecular dynamics investigation of thermal transport in a silica-gallium nitride nanocomposite. A surprising enhancement of the thermal conductivity for crystalline volume fractions larger than 5% is found, which…
Layered materials have uncommonly anisotropic thermal properties due to their strong in-plane covalent bonds and weak out-of-plane van der Waals interactions. Here we examine heat flow in graphene (graphite), h-BN, MoS2, and WS2 monolayers…
We consider transport diffusion in a stochastic billiard in a random tube which is elongated in the direction of the first coordinate (the tube axis). Inside the random tube, which is stationary and ergodic, non-interacting particles move…
For the gas near a solid planar wall, we propose a scaling formula for the mean free path of a molecule as a function of the distance from the wall, under the assumption of a uniform distribution of the incident directions of the molecular…
We study compressible fluid flow in narrow two-dimensional channels using a novel molecular dynamics simulation method. In the simulation area, an upstream source is maintained at constant density and temperature while a downstream…
Recent theoretical modeling offers a unified picture for the description of stochastic processes characterized by a crossover from anomalous to normal behavior. This is particularly welcome, as a growing number of experiments suggest the…
We numerically study the dynamics of cold atoms in a two-dimensional disordered potential. We consider an anisotropic speckle potential and focus on the classical regime, which is relevant to some recent experiments. First, we study the…
Nanoscale fluid transport is typically pictured in terms of atomic-scale dynamics, as is natural in the real-space framework of molecular simulations. An alternative Fourier-space picture, that involves the collective charge fluctuation…
The transport of sputtered aluminum inside a multi frequency capacitively coupled plasma chamber is simulated by means of a kinetic test multi-particle approach. A novel consistent set of scattering parameters obtained for a modified…
We report a numerical investigation on the heat transfer through one dimensional arrays of metallic nanoparticles closely spaced in a host material. Our simulations show that the multipolar interactions play a crucial role in the heat…
The behavior of particles driven through a narrow constriction is investigated in experiment and simulation. The system of particles adapts to the confining potentials and the interaction energies by a self-consistent arrangement of the…
Because of high surface-to-volume ratio, the most prominent size effect limiting thermal transport originates from phonon-surface scattering in nanostructures. Herein we propose the mechanism of phonon scattering by the bond strength…
The dynamics of entrainment of finite-size heavy particles in a turbulent open channel flow over a smooth surface are analyzed. Three types of simulations, namely with freely moving, rotation-constrained, and spanwise-motion-constrained…
Driven lattice gases serve as canonical models for investigating collective transport phenomena and properties of non-equilibrium steady states (NESS). Here we study one-dimensional transport with nearest-neighbor interactions both in…
Under many conditions, macroscopic grains flow like a fluid; kinetic theory pred icts continuum equations of motion for this granular fluid. In order to test the theory, we perform event driven molecular simulations of a two-dimensional gas…
Shale gas recovery has seen a major boom in recent years due to the increasing global energy demands; but the extraction technologies are very expensive. It is therefore important to develop realistic transport modelling and simulation…
In recent years, research and development in nanoscale science and technology have grown significantly, with electrical transport playing a key role. A natural challenge for its description is to shed light on anomalous behaviours observed…