A Constrained Particle Dynamics for Continuum-Particle Hybrid Method in Micro- and Nano-Fluidics

A hybrid method of continuum and particle dynamics is developed for micro- and nano-fluidics, where fluids are described by a molecular dynamics (MD) in one domain and by the Navier-Stokes (NS) equations in another domain. In order to ensure the continuity of momentum flux, the continuum and molecular dynamics in the overlap domain are coupled through a constrained particle dynamics. The constrained particle dynamics is constructed with a virtual damping force and a virtual added mass force. The sudden-start Couette flows with either non-slip or slip boundary condition are used to test the hybrid method. It is shown that the results obtained are quantitatively in agreement with the analytical solutions under the non-slip boundary conditions and the full MD simulations under the slip boundary conditions.

Streamline topology and dilute particle dynamics in a Karman vortex street flow

Three types of streamline topology in a Karman vortex street flow are shown under the variation of spatial parameters. For the motion of dilute particles in the Karman vortex street flow, there exist a route of bifurcation to a chaotic orbit and more attractors in a bifurcation diagram for the proportion of particle density to fluid density. Along with the increase of spatial parameters in the flow field, the bifurcation process is suspended, as well as more and more attractors emerge. In the motion of dilute particles, a drag term and gravity term dominate and result in the bifurcation phenomenon.

Difference schemes on non-uniform mesh and their application

High order accurate schemes are needed to simulate the multi-scale complex flow fields to get fine structures in simulation of the complex flows with large gradient of fluid parameters near the wall, and schemes on non-uniform mesh are desirable for many CFD (computational fluid dynamics) workers. The construction methods of difference approximations and several difference approximations on non-uniform mesh are presented. The accuracy of the methods and the influence of stretch ratio of the neighbor mesh increment on accuracy are discussed. Some comments on these methods are given, and comparison of the accuracy of the results obtained by schemes based on both non-uniform mesh and coordinate transformation is made, and some numerical examples with non-uniform mesh are presented.

Studies on two-phase co-current air/non-Newtonian shear-thinning fluid flows in inclined smooth pipes

In this work. co-current flow characteristics of air/non-Newtonian liquid systems in inclined smooth pipes are studied experimentally and theoretically using transparent tubes of 20, 40 and 60 turn in diameter. Each tube includes two 10 m lone pipe branches connected by a U-bend that is capable of being inclined to any angle, from a completely horizontal to a fully vertical position. The flow rate of each phase is varied over a wide range. The studied flow phenomena are bubbly, plug flow, slug flow, churn flow and annular flow. These are observed and recorded by a high flow. stratified flow. -speed camera over a wide range of operating conditions. The effects of the liquid phase properties, the inclination angle and the pipe diameter on two-phase flow characteristics are systematically studied. The Heywood-Charles model for horizontal flow was modified to accommodate stratified flow in inclined pipes, taking into account the average void fraction and pressure drop of the mixture flow of a gas/non-Newtonian liquid. The pressure drop gradient model of Taitel and Barnea for a gas/Newtonian liquid slug flow was extended to include liquids possessing shear-thinning flow behaviour in inclined pipes. The comparison of the predicted values with the experimental data shows that the models presented here provide a reasonable estimate of the average void fraction and the corresponding pressure drop for the mixture flow of a gas/ non-Newtonian liquid. (C) 2007 Elsevier Ltd. All rights reserved.

Influence of suspended particles and particle cover over the density interface

The effect of the particle cover over the density interface between two layers of fluids and of the suspended solid particles in the upper turbulcnt layer on the turbulent entrainment has been studied experimentally. The entrainment distance D is a function of the time of power: D=kt, where =0.200-0.130p. For suspended particles in the upper layer and pure 2-layer fluid is equal to 0.200, but the value of k for the suspended particles is smaller than that for the pure 2-layer fluid. The non-dimensional entrainment velocity is E=KRiln, where n=1.50+0.93 p. It is shown that the particle cover over the interface changes the power of Ril in the entrainment and hinders the turbulent entrainment. The variation rule of E for the suspended particles is the same as that for the pure 2-layer fluid, but the K value of the former is smaller than that of the latter. The turbulent mixing mechanism has been discussed.

Thermophoretic deposition of particles in gas flowing over cold surfaces

Some of the calculated parameters show a maximum value for specimens heat-treated at about 100°C. The tensile strength is, for instance, substantially higher for specimens shock-heated at 100°C than for non-heated ones. Another striking feature is the initial decrease of the diameter observed in specimens heat-treated at 600°C when loaded in uniaxial compression. Both optical microscopy and DSA experiments reveal a large increase in microcracking when the heat-treatment temperature exceeds 300°C.

Shock-Induced Dust Cloud Over a Deposit Layer of Fine Particles

The present paper investigates particle density pro les of a dust cloud induced by a normal shock wave moving at a constant speed along a at surface deposited with ne particles. In shock-fixxed coordinates, numerical simulation of ow structures of the carrier- and dispersed- phases was performed for the M = 2 case. The neness and non-uniformity of the particle size are taken into account and their effcts on the dust cloud are discussed in detail.

Rarefied gas dynamics: fundamentals, simulations and micro flows

The Convective Instabilities in a Liquid-Vapor System with a Non-equilibrium Evaporation Interface

Rayleigh-Marangoni-B,nard instability in a system consisting of a horizontal liquid layer and its own vapor has been investigated. The two layers are separated by a deformable evaporation interface. A linear stability analysis is carried out to study the convective instability during evaporation. In previous works, the interface is assumed to be under equilibrium state. In contrast with previous works, we give up the equilibrium assumption and use Hertz-Knudsen's relation to describe the phase change under non-equilibrium state. The influence of Marangoni effect, gravitational effect, degree of non-equilibrium and the dynamics of the vapor on the instability are discussed.

Dissipative particle dynamics simulation of wettability alternation phenomena in the chemical flooding process

Wettability alternation phenomena is considered one of the most important enhanced oil recovery (EOR) mechanisms in the chemical flooding process and induced by the adsorption of surfactant on the rock surface. These phenomena are studied by a mesoscopic method named as dissipative particle dynamics (DPD). Both the alteration phenomena of water-wet to oil-wet and that of oil-wet to water-wet are simulated based on reasonable definition of interaction parameters between beads. The wetting hysteresis phenomenon and the process of oil-drops detachment from rock surfaces with different wettability are simulated by adding long-range external forces on the fluid particles. The simulation results show that, the oil drop is liable to spread on the oil-wetting surface and move in the form of liquid film flow, whereas it is likely to move as a whole on the water-wetting surface. There are the same phenomena occuring in wettability-alternated cases. The results also show that DPD method provides a feasible approach to the problems of seepage flow with physicochemical phenomena and can be used to study the mechanism of EOR of chemical flooding.

Nutrient dynamics and the eutrophication of shallow lakes Kasumigaura (Japan), Donghu (PR China), and Okeechobee (USA)

We compared the nutrient dynamics of three lakes that have been heavily influenced by point and non-point source pollution and other human activities. The lakes, located in Japan (Lake Kasumigaura), People's Republic of China (Lake Donghu), and the USA (Lake Okeechobee), all are relatively large(>30 km(2)), very shallow (<4 m mean depth), and eutrophic. In all three lakes we found strong interactions among the sediments, water column, and human activities. Important processes affecting nutrient dynamics included nitrogen fixation, light limitation due to resuspended sediments, and intense grazing on algae by cultured fish. As a result of these complex interactions, simple empirical models developed to predict in-lake responses of total phosphorus and algal biomass to external nutrient loads must be used with caution. While published models may provide 'good' results, in terms of model output matching actual data, this may not be due to accurate representation of lake processes in the models. The variable nutrient dynamics that we observed among the three study lakes appears to be typical for shallow lake systems. This indicates that a greater reliance on lake-specific research may be required for effective management, and a lesser role of inter-lake generalization than is possible for deeper, dimictic lake systems. Furthermore, accurate predictions of management impacts in shallow eutrophic lakes may require the use of relatively complex deterministic modeling tools. (C) 2000 Elsevier Science Ltd. All rights reserved.

Effect of electron-hole spatial correlation on spin relaxation dynamics in InAs submonolayer

Using time-resolved photoluminescence and time-resolved Kerr rotation spectroscopy, we explore the unique electron spin behavior in an InAs submonolayer sandwiched in a GaAs matrix, which shows very different spin characteristics under resonant and non-resonant excitations. While a very long spin relaxation lifetime of a few nanoseconds at low temperature is observed under non-resonant excitation, it decreases dramatically under resonant excitation. These interesting results are attributed to the difference in electron-hole interactions caused by non-geminate or geminate capture of photo-generated electron-hole pairs in the two excitation cases, and provide a direct verification of the electron-hole spatial correlation effect on electron spin relaxation. (c) 2007 Elsevier Ltd. All rights reserved.

Spin relaxation dynamics in InAs monolayer and submonolayer

By using time-resolved photoluminescence and time-resolved Kerr rotation, we have studied the unique electron spin dynamics in InAs monolayer (ML) and submonolayer (SML), which were sandwiched in GaAs matrix. Under non-resonant excitation, the spin relaxation lifetimes of 3.4 ns and 0.48 ns were observed for 1/3 ML and I ML InAs samples, respectively. More interestingly, the spin lifetime of the 1/3 ML InAs decreased dramatically under resonant excitation, down to 70 ps, while the spin lifetime of the 1 ML sample did not vary much, changing only from 400 to 340 ps. These interesting results come from the different electron-hole interactions caused by different spatial electron-hole correlation, and they provide a direct evidence of the dominant spin relaxation process, i.e. the BAP mechanism. Furthermore, these new results may provide a valuable enlightenment in controlling the spin relaxation and in seeking new material systems for spintronics application.

Dynamics of quantum dissipation systems interacting with fermion and boson grand canonical bath ensembles: Hierarchical equations of motion approach

A hierarchical equations of motion formalism for a quantum dissipation system in a grand canonical bath ensemble surrounding is constructed on the basis of the calculus-on-path-integral algorithm, together with the parametrization of arbitrary non-Markovian bath that satisfies fluctuation-dissipation theorem. The influence functionals for both the fermion or boson bath interaction are found to be of the same path integral expression as the canonical bath, assuming they all satisfy the Gaussian statistics. However, the equation of motion formalism is different due to the fluctuation-dissipation theories that are distinct and used explicitly. The implications of the present work to quantum transport through molecular wires and electron transfer in complex molecular systems are discussed. (c) 2007 American Institute of Physics.

Effect of nonradiative recombination on carrier dynamics in GaInNAs/GaAs quantum wells

The nonradiative recombination effect on carrier dynamics in GaInNAs/GaAs quantum wells is studied by time-resolved photoluminescence (TRPL) and polarization-dependent TRPL at various excitation intensities. It is found that both recombination dynamics and spin relaxation dynamics strongly depend on the excitation intensity. Under moderate excitation intensities the PL decay curves exhibit unusual non-exponential behaviour. This result is well stimulated by a rate equation involving both the radiative and non-radiative recombinations via the introduction of a new parameter of the effective concentration of nonradiative recombination centres in the rate equation. In the spin dynamics study, the spin relaxation also shows strong excitation power dependence. Under the high excitation power an increase of spin polarization degree with time is observed. This new finding provides a useful hint that the spin process can be controlled by excitation power in GaInNAs systems.