Physics-Based Band Gap Model for Relaxed and Strained 100] Silicon Nanowires

In this paper, we propose a physics-based simplified analytical model of the energy band gap and electron effective mass in a relaxed and strained rectangular 100] silicon nanowires (SiNWs). Our proposed formulation is based on the effective mass approximation for the nondegenerate two-band model and 4 x 4 Luttinger Hamiltonian for energy dispersion relation of conduction band electrons and the valence band heavy and light holes, respectively. Using this, we demonstrate the effect of the uniaxial strain applied along 100]-direction and a biaxial strain, which is assumed to be decomposed from a hydrostatic deformation along 001] followed by a uniaxial one along the 100]-direction, respectively, on both the band gap and the transport and subband electron effective masses in SiNW. Our analytical model is in good agreement with the extracted data using the extended-Huckel-method-based numerical simulations over a wide range of device dimensions and applied strain.

Numerical study of the impact of inoculant and grain transport on macrosegregation and microstructure formation during solidification of an Al-22%Cu alloy

We investigate the impact of the nucleation law for nucleation on Al-Ti-B inoculant particles, of the motion of inoculant particles and of the motion of grains on the predicted macrosegregation and microstructure in a grain-refined Al-22 wt.% Cu alloy casting. We conduct the study by numerical simulations of a casting experiment in a side-cooled 76×76×254 mm sand mould. Macrosegregation and microstructure formation are studied with a volume-averaged two-phase model accounting for macroscopic heat and solute transport, melt convection, and transport of inoculant particles and equiaxed grains. On the microscopic scale it accounts for nucleation on inoculant particles with a given size distribution (and corresponding activation undercooling distribution)and for the growth of globular solid grains. The growth kinetics is described by accounting for limited solute diffusion in both liquid and solid phases and for convective effects. We show that the consideration of a size distribution of the inoculants has a strong impact on the microstructure(final grain size) prediction. The transport of inoculants significantly increases the microstructure heterogeneities and the grain motion refines the microstructure and reduces the microstructure heterogeneities.

Discrete Vortex Method-Based Model for Ground-Effect Studies

A discrete vortex method-based model has been proposed for two-dimensional/three-dimensional ground-effect prediction. The model merely requires two-dimensional sectional aerodynamics in free flight. This free-flight data can be obtained either from experiments or a high-fidelity computational fluid dynamics solver. The first step of this two-step model involves a constrained optimization procedure that modifies the vortex distribution on the camber line as obtained from a discrete vortex method to match the free-flight data from experiments/computational fluid dynamics. In the second step, the vortex distribution thus obtained is further modified to account for the presence of the ground plane within a discrete vortex method-based framework. Whereas the predictability of the lift appears as a natural extension, the drag predictability within a potential flow framework is achieved through the introduction of what are referred to as drag panels. The need for the use of the generalized Kutta-Joukowski theorem is emphasized. The extension of the model to three dimensions is by the way of using the numerical lifting-line theory that allows for wing sweep. The model is extensively validated for both two-dimensional and three-dimensional ground-effect studies. The work also demonstrates the ability of the model to predict lift and drag coefficients of a high-lift wing in ground effect to about 2 and 8% accuracy, respectively, as compared to the results obtained using a Reynolds-averaged Navier-Stokes solver involving grids with several million volumes. The model shows a lot of promise in design, particularly during the early phase.

Shock-Induced Near-Wall Two-Phase Flow Structure Over a Micron-Sized Particles Bed

The present paper studies numerical modelling of near-wall two-phase flows induced by a normal shock wave moving at a constant speed, over a micronsized particles bed. In this two-fluid model, the possibility of particle trajectory intersection is considered and a full Lagrangian formulation of the dispersed phase is introduced. The finiteness of the Reynolds and Mach numbers of the flow around a particle as well as the fineness of the particle sizes are taken into account in describing the interactions between the carrier- and dispersed- phases. For the small mass-loading ratio case, the numerical simulation of flow structure of the two phases is implemented and the profiles of the particle number density are obtained under the constant-flux condition on the wall. The effects of the shock Mach number and the particle size and material density on particle entrainment motion are discussed in detail.The obtained results indicate that interphase non-equilibrium in the velocity and temperature is a common feature for this type of flows and a local particle accumulation zone may form near the envelope of the particle trajectory family.

Study of drag reduction by gas injection for power-law fluid flow in horizontal stratified and slug flow regimes

In this work, the drag reduction by gas injection for power-law fluid flow in stratified and slug flow regimes has been studied. Experimentswere conducted to measure the pressure gradient within air/CMC solutions in a horizontal Plexiglas pipe that had a diameter of 50mm and a length of 30 m. The drag reduction ratio in stratified flow regime was predicted using the two-fluid model. The results showed that the drag reduction should occur over the large range of the liquid holdup when the flow behaviour index remained at the low value. Furthermore, for turbulent gas-laminar liquid stratified flow, the drag reduction by gas injection for Newtonian fluid was more effective than that for shear-shinning fluid, when the dimensionless liquid height remained in the area of high value. The pressure gradient model for a gas/Newtonian liquid slug flow was extended to liquids possessing the Ostwald–de Waele power law model. The proposed model was validated against 340 experimental data point over a wide range of operating conditions, fluid characteristics and pipe diameters. The dimensionless pressure drop predicted was well inside the 20% deviation region for most of the experimental data. These results substantiated the general validity of the model presented for gas/non-Newtonian two-phase slug flows.

Shock-induced two-phase flows in an aligned baffle system filled with suspended particles

This paper describes the shock propagation through a dilute gas-particle suspension in an aligned baffle system. Numerical solution to two-phase flows induced by a planar shock wave is given based on the two-continuum model with interphase coupling. The governing equations are numerically solved by using high-resolution schemes. The computational results show the shock reflection and diffraction patterns, and the shock-induced flow fields in the 4-baffle system filled with the dusty gas.

The motion of solid particles in a liquid with vertical temperature-gradient

A ground-experiment study on the motions of solid particles in liquid media with vertical temperature gradient is performed in this paper. The movement of solid spheres toward the heating end of a close cell is observed. The behavior and features of the motions examined are quite similar to thermocapillary migration of bubbles and drops in a liquid. The motion velocities of particles measured are about 10(-3) to 10(-4) mm\s. The velocity is compared with the velocity of particles floated in two liquid media. The physical mechanism of motion is explored.

A model of an isolated magnetic-flux tube in a stratified atmosphere

A two-dimensional model of a magnetic flux tube confined in a gravitational stratified atmosphere is discussed. The magnetic field in the flux tube is assumed to be force-free. By using the approximation of large scale height, the problem of a free boundary with nonlinear conditions may be reduced to one involving a fixed boundary. The two-dimensional features are obtained by applying the perturbation method and adopting the Luest-Schlueter model as the basic state. The results show that the configuration of a flux tube confined in a gravitational stratified atmosphere is divergent, and the more twisted the magnetic field, the more divergent is the flux tube.

Experimental Study on Bénard-Marangoni Convection in Double Immiscible Liquid Layer

An experimental investigation of Bénard-Marangoni convection has been performed in double immiscible liquid layers of rectangular configuration on the ground. The two kinds of liquid are 10cst silicon oil and FC-70 respectively. The size of rectangular chamber is 100mm×40mm in horizontal cross-section. The evolution processes of convection are observed in the differential thickness ratio of two liquid layers. The critical temperature difference was measured via the detections of fluid convection by a particle image velocimetry (PIV) in the vertical cross-section of the liquid layer. The critical temperature difference or the critical Marangoni number was given. And the influence of the thickness ratio of two liquid layers on the convection instability was discussed. The evolution processes of patterns and temperature distributions on the interface are displayed by using thermal liquid crystal. The velocity distributions on the interface were also obtained. In comparison with the thermocapillary effect, the effect of buoyancy convection will relatively increase when the depth of the liquid layer increases. Because of the coupling of buoyancy and thermocapillary effect, the convection instability is much more complex than that in the microgravity environment. And the critical convection depends on the change of the thickness of liquid layers and also the change of thickness ratio of two liquid layers.

Influence of Evaporation on Marangoni-Benard Instability

Evaporative convection and instability give rise to both scientific and technological interests. Practically, a number of the industrial applications such as thin-film evaporators, boiling technologies and heat pipes concern with the evaporation process of which through the vapor-liquid interface the heat and mass transfer occur. From a physical viewpoint, one of interesting questions is the mechanisms of convection instability in thin-liquid layers induced by the coupling of evaporation phenomenon and Marangoni effect at the mass exchanged interface. Classical theories, including Rayleigh’s and Pearson’s, have only successfully explained convection in a liquid layer heated from below without evaporation. However these theories are unable to explain the convection in an evaporating thin layer, especially liquid layer is cooled from below. In present paper, a new two-sided model is put forward rather than the one-sided model in previous works. In previous works, the vapor is treated as passive gas and dynamics of vapor has been ignored. In this case, the vapor liquid system can be described by one-sided model. In our two-sided model, the dynamics of vapor should be considered. Linear instability analysis of the Marangoni-Bénard convection in the two-layer system with an evaporation interface is performed. We define a new evaporating Biot number which is different from the Biot number in one-sided model and obtain the curves of critical Marangoni number versus wave number. In our theoretical results, the Biot number and the evaporating velocity play a major role in the stability of the vapor-liquid system.

Characteristics of flow fields induced by interfacial waves in two-layer fluid

When designing deep ocean structures, it is necessary to estimate the effects of internal waves on the platform and auxiliary parts such as tension leg, riser and mooring lines. Up to now, only a few studies are concerned with the internal wave velocity fields. By using the most representative two-layer model, we have analyzed the behavior of velocity field induced by interfacial wave in the present paper. We find that there may exist velocity shear of fluid particles in the upper and lower layers so that any structures in the ocean are subjected to shear force nearby the interface. In the meantime, the magnitude of velocity for long internal wave appears spatially uniform in the respective layer although they still decay exponentially. Finally, the temporal variation for Stokes and solitary waves are shown to be of periodical and pulse type.

An Improved CE/SE Scheme for Numerical Simulation of Gaseous and Two-Phase Detonations

A new structure of solution elements and conservation elements based on rectangular mesh was pro- posed and an improved space-time conservation element and solution element (CE/SE) scheme with sec- ond-order accuracy was constructed. Furthermore, the application of improved CE/SE scheme was extended to detonation simulation. Three models were used for chemical reaction in gaseous detonation. And a two-fluid model was used for two-phase (gas–droplet) detonation. Shock reflections were simu- lated by the improved CE/SE scheme and the numerical results were compared with those obtained by other different numerical schemes. Gaseous and gas–droplet planar detonations were simulated and the numerical results were carefully compared with the experimental data and theoretical results based on C–J theory. Mach reflection of a cellular detonation was also simulated, and the numerical cellular pat- terns were compared with experimental ones. Comparisons show that the improved CE/SE scheme is clear in physical concept, easy to be implemented and high accurate for above-mentioned problems.

A molecular dynamics study of the microscopic properties of simple dense fluids

The microscopic properties of a two-dimensional model dense fluid of Lennard-Jones disks have been studied using the so-called "molecular dynamics" method. Analyses of the computer-generated simulation data in terms of "conventional" thermodynamic and distribution functions verify the physical validity of the model and the simulation technique.

The radial distribution functions g(r) computed from the simulation data exhibit several subsidiary features rather similar to those appearing in some of the g(r) functions obtained by X-ray and thermal neutron diffraction measurements on real simple liquids. In the case of the model fluid, these "anomalous" features are thought to reflect the existence of two or more alternative configurations for local ordering.

Graphical display techniques have been used extensively to provide some intuitive insight into the various microscopic phenomena occurring in the model. For example, "snapshots" of the instantaneous system configurations for different times show that the "excess" area allotted to the fluid is collected into relatively large, irregular, and surprisingly persistent "holes". Plots of the particle trajectories over intervals of 2.0 to 6.0 x 10^-12 sec indicate that the mechanism for diffusion in the dense model fluid is "cooperative" in nature, and that extensive diffusive migration is generally restricted to groups of particles in the vicinity of a hole.

A quantitative analysis of diffusion in the model fluid shows that the cooperative mechanism is not inconsistent with the statistical predictions of existing theories of singlet, or self-diffusion in liquids. The relative diffusion of proximate particles is, however, found to be retarded by short-range dynamic correlations associated with the cooperative mechanism--a result of some importance from the standpoint of bimolecular reaction kinetics in solution.

A new, semi-empirical treatment for relative diffusion in liquids is developed, and is shown to reproduce the relative diffusion phenomena observed in the model fluid quite accurately. When incorporated into the standard Smoluchowski theory of diffusion-controlled reaction kinetics, the more exact treatment of relative diffusion is found to lower the predicted rate of reaction appreciably.

Finally, an entirely new approach to an understanding of the liquid state is suggested. Our experience in dealing with the simulation data--and especially, graphical displays of the simulation data--has led us to conclude that many of the more frustrating scientific problems involving the liquid state would be simplified considerably, were it possible to describe the microscopic structures characteristic of liquids in a concise and precise manner. To this end, we propose that the development of a formal language of partially-ordered structures be investigated.

Lattice anomalies and magnetic states in Fe_5Si_3-Mn_5Si_3 alloys

The lattice anomalies and magnetic states in the (Fe_100-xMn_x)₅Si₃ alloys have been investigated. Contrary to what was previously reported, results of x-ray diffraction show a second phase (α') present in Fe-rich alloys and therefore strictly speaking a complete solid solution does not exist. Mössbauer spectra, measured as a function of composition and temperature, indicate the presence of two inequivalent sites, namely 6(g) site (designated as site I) and 4(d) (site II). A two-site model (TSM) has been introduced to interpret the experimental findings. The compositional variation of lattice parameters a and c, determined from the x-ray analysis, exhibits anomalies at x = 22.5 and x = 50, respectively. The former can be attributed to the effect of a ferromagnetic transition; while the latter is due to the effect of preferential substitution between Fe and Mn atoms according to TSM.

The reduced magnetization of these alloys deduced from magnetic hyperfine splittings has been correlated with the magnetic transition temperatures in terms of the molecular field theory. It has been found from both the Mössbauer effect and magnetization measurements that for composition 0 ≤ x ˂ 50 both sites I and II are ferromagnetic at liquid-nitrogen temperature and possess moments parallel to each other. In the composition range 50 ˂ x ≤ 100 , the site II is antiferromagnetic whereas site I is paramagnetic even at a temperature below the bulk Néel temperatures. In the vicinity of x = 50 however, site II is in a state of transition between ferromagnetism and antiferromagnetism. The present study also suggests that only Mn in site II are responsible for the antiferromagnetism in Mn₅Si₃ contrary to a previous report.

Electrical resistance has also been measured as a function of temperature and composition. The resistive anomalies observed in the Mn-rich alloys are believed to result from the effect of the antiferromagnetic Brillouin zone on the mobility of conduction electrons.

Tsunamis - a model of their generation and propagation

A general solution is presented for water waves generated by an arbitrary movement of the bed (in space and time) in a two-dimensional fluid domain with a uniform depth. The integral solution which is developed is based on a linearized approximation to the complete (nonlinear) set of governing equations. The general solution is evaluated for the specific case of a uniform upthrust or downthrow of a block section of the bed; two time-displacement histories of the bed movement are considered.

An integral solution (based on a linear theory) is also developed for a three-dimensional fluid domain of uniform depth for a class of bed movements which are axially symmetric. The integral solution is evaluated for the specific case of a block upthrust or downthrow of a section of the bed, circular in planform, with a time-displacement history identical to one of the motions used in the two-dimensional model.

Since the linear solutions are developed from a linearized approximation of the complete nonlinear description of wave behavior, the applicability of these solutions is investigated. Two types of non-linear effects are found which limit the applicability of the linear theory: (1) large nonlinear effects which occur in the region of generation during the bed movement, and (2) the gradual growth of nonlinear effects during wave propagation.

A model of wave behavior, which includes, in an approximate manner, both linear and nonlinear effects is presented for computing wave profiles after the linear theory has become invalid due to the growth of nonlinearities during wave propagation.

An experimental program has been conducted to confirm both the linear model for the two-dimensional fluid domain and the strategy suggested for determining wave profiles during propagation after the linear theory becomes invalid. The effect of a more general time-displacement history of the moving bed than those employed in the theoretical models is also investigated experimentally.

The linear theory is found to accurately approximate the wave behavior in the region of generation whenever the total displacement of the bed is much less than the water depth. Curves are developed and confirmed by the experiments which predict gross features of the lead wave propagating from the region of generation once the values of certain nondimensional parameters (which characterize the generation process) are known. For example, the maximum amplitude of the lead wave propagating from the region of generation has been found to never exceed approximately one-half of the total bed displacement. The gross features of the tsunami resulting from the Alaskan earthquake of 27 March 1964 can be estimated from the results of this study.