Determination of diffusion parameters and activation energy of diffusion in V3Si phase with A15 crystal structure

Diffusion such is the integrated diffusion coefficient of the phase, the tracer diffusion coefficient of species at different temperatures and the activation energy for diffusion, are determined in V3Si phase with A15 crystal structure. The tracer diffusion coefficient of Si Was found to be negligible compared to the tracer diffusion coefficient of V. The calculated diffusion parameters will help to validate the theoretical analysis of defect structure of the phase, which plays an important role in the superconductivity.

Molecular theory for the effects of specific solute-solvent interaction on the diffusion of a solute particle in a molecular liquid

An understanding of the effect of specific solute-solvent interactions on the diffusion of a solute probe is a long standing problem of physical chemistry. In this paper a microscopic treatment of this effect is presented. The theory takes into account the modification of the solvent structure around the solute due to this specific interaction between them. It is found that for strong, attractive interaction, there is an enhanced coupling between the solute and the solvent dynamic modes (in particular, the density mode), which leads to a significant increase in the friction on the solute. The diffusion coefficient of the solute is found to depend strongly and nonlinearly on the magnitude of the attractive interaction. An interesting observation is that specific solute-solvent interaction can induce a crossover from a sliplike to a sticklike diffusion. In the limit of strong attractive interaction, we recover a dynamic version of the solvent-berg picture. On the other hand, for repulsive interaction, the diffusion coefficient of the solute increases. These results are in qualitative agreement with recent experimental observations.

Stability of a Random Diffusion with Linear Drift

We consider a Linear system with Markovian switching which is perturbed by Gaussian type noise, If the linear system is mean square stable then we show that under certain conditions the perturbed system is also stable, We also shaw that under certain conditions the linear system with Markovian switching can be stabilized by such noisy perturbation.

Interdiffusion and Growth of the Superconductor Nb3Sn in Nb/Cu(Sn) Diffusion Couples

The confusion over the growth rate of the Nb3Sn superconductor compound following the bronze technique is addressed. Furthermore, a possible explanation for the corrugated structure of the product phase in the multifilamentary structure is discussed. Kirkendall marker experiments are conducted to study the relative mobilities of the species, which also explains the reason for finding pores in the product phase layer. The movement of the markers after interdiffusion reflects that Sn is the faster diffusing species. Furthermore, different concentrations of Sn in the bronze alloy are considered to study the effect of Sn content on the growth rate. Based on the parabolic growth constant at different temperatures, the activation energy for the growth is determined.

Natural convection from a vertical cone in a porous medium due to the combined effects of heat and mass diffusion with non-uniform wall temperature/concentration or heat/mass flux and suction/injection

An analysis has been carried out to study the non-Darcy natural convention flow of Newtonian fluids on a vertical cone embedded in a saturated porous medium with power-law variation of the wall temperature/concentration or heat/mass flux and suction/injection with the streamwise distance x. Both non-similar and self-similar solutions have been obtained. The effects of non-Darcy parameter, ratio of the buoyancy forces due to mass and heat diffusion, variation of wall temperature/concentration or heat/mass flux and suction/injection on the Nusselt and Sherwood numbers have been studied.

Evaluation Of Diffusion-Coefficient And Ionic Mobility In (Nh4)4fe(Cn)6.1.5 H2o

The diffusion coefficient, D, and the ionic mobility, μ, in the protonic conductor ammonium ferrocyanide hydrate have been determined by the isothermal transient ionic current method. D is also determined from the time dependence of the build up of potential across the samples and theretical expressions describing this build up in terms of double exponential dependence on time are obtained. The values obtained are D=3.875×10−11m2s−1 and μ=1.65×10−9 m2V−1s−1.

Diffusion Parameters in the Nb-Mo System: Revisited

The variation of the interdiffusion coefficient with the change in composition in the Nb-Mo system is determined in the temperature range of 1800 °C to 1900 °C. It was found that the activation energy has a minimum at around 45 at. pct Nb. The values of the pre-exponential factor and the activation energy for diffusion are compared with the data available in the literature. Further, the impurity diffusion coefficients of Nb in Mo and Mo in Nb are calculated.

An Exact Analysis of Unsteady Convective Diffusion in an Annular Pipe

An exact solution to the unsteady convective diffusion equation for the dispersion of a solute in a fully developed laminar flow in an annular pipe is obtained. Generalized dispersion model which is valid for all time after the injection of solute in the flow is used to evaluate the dispersion coefficients as functions of time. It is observed that the axial dispersion decreases with an increase in the radius of the inner cylinder.

Swarm intelligence-based solver for parameter estimation of laboratory through-diffusion transport of contaminants

Theoretical approaches are of fundamental importance to predict the potential impact of waste disposal facilities on ground water contamination. Appropriate design parameters are generally estimated be fitting theoretical models to data gathered from field monitoring or laboratory experiments. Transient through-diffusion tests are generally conducted in the laboratory to estimate the mass transport parameters of the proposed barrier material. Thes parameters are usually estimated either by approximate eye-fitting calibration or by combining the solution of the direct problem with any available gradient-based techniques. In this work, an automated, gradient-free solver is developed to estimate the mass transport parameters of a transient through-diffusion model. The proposed inverse model uses a particle swarm optimization (PSO) algorithm that is based on the social behavior of animals searching for food sources. The finite difference numerical solution of the forward model is integrated with the PSO algorithm to solve the inverse problem of parameter estimation. The working principle of the new solver is demonstrated and mass transport parameters are estimated from laboratory through-diffusion experimental data. An inverse model based on the standard gradient-based technique is formulated to compare with the proposed solver. A detailed comparative study is carried out between conventional methods and the proposed solver. The present automated technique is found to be very efficient and robust. The mass transport parameters are obtained with great precision.

An Analysis of a Boundary Layer Diffusion Flame Over a Porous Flat Plate in a Confined Flow

A numerical analysis of the gas dynamic structure of a two-dimensional laminar boundary layer diffusion flame over a porous flat plate in a confined flow is made on the basis of the familiar boundary layer and flame sheet approximations neglecting buoyancy effects. The governing equations of aerothermochemistry with the appropriate boundary conditions are solved using the Patankar-Spalding method. The analysis predicts the flame shape, profiles of temperature, concentrations of variousspecies, and the density of the mixture across the boundary layer. In addition, it also predicts the pressure gradient in the flow direction arising from the confinement ofthe flow and the consequent velocity overshoot near the flame surface. The results of thecomputation performed for an n-pentane-air system are compared with experimental data andthe agreement is found to be satisfactory.

nvestigations on the Stability and Extinction of a Laminar Diffusion Flame Over a Porous Flat Plate

The limits of stability and extinction of a laminar diffusion flame have been experimentally studied in a two-dimensional laminar boundary layer over a porous flat plate through which n-pentane vapour was uniformly injected. The stability and extinction boundaries are mapped on a plot of free stream oxidant velocity versus fuel injection velocity. Effects of free stream temperature and of dilution of fuel and oxidant on these boundaries have been examined. The results show that there exists a limiting oxidant flux beyond which the diffusion flame cannot be sustained. This limiting oxidant flux has been found to depend_on the free stream oxygen concentration, fuel concentration and injection'velocity of the fuel.

Structure, energetics and diffusion properties of isomers of trimethyl benzene in beta zeolite: Uptake and Monte Carlo simulation study

A Monte Carlo study along with experimental uptake measurements of 1,2,3-trimethyl benzene, 1,2,4-trimethyl benzene and 1,3,5-trimethyl benzene (TMB) in beta zeolite is reported. The TraPPE potential has been employed for hydrocarbon interaction and harmonic potential of Demontis for modeling framework of the zeolite. Structure, energetics and dynamics of TMB in zeolite beta from Monte Carlo runs reveal interesting information about the diameter, properties of these isomers on confinement. Of the three isomers, 135TMB is supposed to have the largest diameter. It is seen TraPPE with Demontis potential predicts a restricted motion of 135TMB in the channels of zeolite beta.Experimentally, 135TMB has the highest transport diffusivity whereas MID results suggest this has the lowest self diffusivity. (C) 2009 Elsevier Inc. Ail rights reserved.

Dynamics of dense sheared granular flows. Part 1. Structure and diffusion

Shear flows of inelastic spheres in three dimensions in the Volume fraction range 0.4-0.64 are analysed using event-driven simulations.Particle interactions are considered to be due to instantaneous binary collisions, and the collision model has a normal coefficient of restitution e(n) (negative of the ratio of the post- and pre-collisional relative velocities of the particles along the line joining the centres) and a tangential coefficient of restitution e(t) (negative of the ratio of post- and pre-collisional velocities perpendicular to the line Joining the centres). Here, we have considered both e(t) = +1 and e(t) = e(n) (rough particles) and e(t) =-1 (smooth particles), and the normal coefficient of restitution e(n) was varied in the range 0.6-0.98. Care was taken to avoid inelastic collapse and ensure there are no particle overlaps during the simulation. First, we studied the ordering in the system by examining the icosahedral order parameter Q(6) in three dimensions and the planar order parameter q(6) in the plane perpendicular to the gradient direction. It was found that for shear flows of sufficiently large size, the system Continues to be in the random state, with Q(6) and q(6) close to 0, even for volume fractions between phi = 0.5 and phi = 0.6; in contrast, for a system of elastic particles in the absence of shear, the system orders (crystallizes) at phi = 0.49. This indicates that the shear flow prevents ordering in a system of sufficiently large size. In a shear flow of inelastic particles, the strain rate and the temperature are related through the energy balance equation, and all time scales can be non-dimensionalized by the inverse of the strain rate. Therefore, the dynamics of the system are determined only by the volume fraction and the coefficients of restitution. The variation of the collision frequency with volume fraction and coefficient of estitution was examined. It was found, by plotting the inverse of the collision frequency as a function of volume fraction, that the collision frequency at constant strain rate diverges at a volume fraction phi(ad) (volume fraction for arrested dynamics) which is lower than the random close-packing Volume fraction 0.64 in the absence of shear. The volume fraction phi(ad) decreases as the coefficient of restitution is decreased from e(n) = 1; phi(ad) has a minimum of about 0.585 for coefficient of restitution e(n) in the range 0.6-0.8 for rough particles and is slightly larger for smooth particles. It is found that the dissipation rate and all components of the stress diverge proportional to the collision frequency in the close-packing limit. The qualitative behaviour of the increase in the stress and dissipation rate are well Captured by results derived from kinetic theory, but the quantitative agreement is lacking even if the collision frequency obtained from simulations is used to calculate the pair correlation function used In the theory.