Diffusion mechanisms in the Fe3ASi

In this paper, the possible reasons for the high thermal vacancy concentration and the low migration barriers for the Fe atom diffusion in the DO3 structure Fe3Si have been discussed.

Numerical Simulation of Gaseous Detonation of H_2-O_2 Mixture with Detailed Chemical Reaction Model

采用高精度的ENO格式和基于基元化学反应的真实化学反应模型求解氢氧混合气体一维爆轰波的精细结构。采用直接起爆方法得到稳定传播的爆轰波,计算的爆轰波阵面参数和实验相当符合。对爆轰波反应区化学反应的研究表明,参与反应的不同组分具有不同类型的变化特征。网格尺寸影响的研究表明,计算结果的精度随着网格尺寸的增加而增加,并能保持较好的收敛性。移动网格研究结果表明,网格运动速度和爆轰速度接近时,两者的相互作用对计算结果产生一定影响。

Concentration distribution in solution crystal growth: effect of moving interface conditions

The linear diffusion-reaction theory with finite interface kinetics is employed to describe the dissolution and the growth processes. The results show that it is imperative to consider the effect of the moving interfaces on the concentration distribution at the growth interface for some cases. For small aspect ratio and small gravity magnitude, the dissolution and the growth interfaces must be treated as the moving boundaries within an angle range of 0 degrees < gamma < 50 degrees in this work. For large aspect ratio or large gravity magnitude, the effect of the moving interfaces on the concentration distribution at the growth interface can be neglected except for gamma < - 50 degrees.

Molecular Dynamics Modeling of Diffusion Bonding

Molecular dynamics simulations on diffusion bonding of Cu-Ag showed that the thickness of the interfacial region depended on the stress. The interfacial region became amorphous during diffusion bonding, and it would normally transform from amorphous into crystalline structure when the structure was cooled to the room temperature.

Effect of diffusion on coating microstructure and oxidation resistance of aluminizing steel

The effect of diffuse treatment on coating microstructure and oxidation resistance at high-temperature of hot-dip aluminum were studied by means of TEM, SEM and XRD. The results show that, the diffusion temperature has significant effect on structure of coatings and its oxidation resistance. After diffusion at 750 degreesC, the coating consists of thick outer surface layer (Fe2Al5+ FeAl2), thin internal layer (FeAl + stripe FeAl2), and its oxidation resistance is poor. After diffusion at 950 degreesC, the outer surface layer is composed of single FeAl2 phase, the internal layer is composed of FeAl phase, and its oxidation resistance declines due to the occurrence of early stage internal oxidation cracks in the coating. After diffusion at 850 degreesC, the outer surface layer becomes thinner and consists of FeAl2 Fe2Al5(small amount), the internal layer becomes thicker and consists of FeAl+spherical FeAl2, and the spheroidized FeAl2 phase in the internal layer and its existing in FeAl phase steadily improve the oxidation resistance of the coating.

Observation Of Diffusion Process Of A Water Droplet Immersed In Protein Solution In Microgravity

Pure liquid - liquid diffusion driven by concentration gradients is hard to study in a normal gravity environment since convection and sedimentation also contribute to the mass transfer process. We employ a Mach - Zehnder interferometer to monitor the mass transfer process of a water droplet in EAFP protein solution under microgravity condition provided by the Satellite Shi Jian No 8. A series of the evolution charts of mass distribution during the diffusion process of the liquid droplet are presented and the relevant diffusion coefficient is determined.

Atomistic investigation of the effects of temperature and surface roughness on diffusion bonding between Cu and Al

Molecular dynamics (MD) simulations are carried out to analyze the diffusion bonding at Cu/Al interfaces. The results indicate that the thickness of the interfacial layer is temperature-dependent, with higher temperatures yielding larger thicknesses. At temperatures below 750 K, the interface thickness is found to increase in a stepwise manner as a function of time. At temperatures above 750 K, the thickness increases rapidly and smoothly. When surface roughness is present, the bonding process consists of three stages. In the first stage, surfaces deform under stress, resulting in increased contact areas. The second stage involves significant plastic deformation at the interface as temperature increases, resulting in the disappearance of interstices and full contact of the surface pair. The last stage entails the diffusion of atoms under constant temperature. The bonded specimens show tensile strengths reaching 88% of the ideal Cu/Al contact strength. (c) 2007 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Diffusion dominated process for the crystal growth of a binary alloy

The pure diffusion process has been often used to study the crystal growth of a binary alloy in the microgravity environment. In the present paper, a geometric parameter, the ratio of the maximum deviation distance of curved solidification and melting interfaces from the plane to the radius of the crystal rod, was adopted as a small parameter, and the analytical solution was obtained based on the perturbation theory. The radial segregation of a diffusion dominated process was obtained for cases of arbitrary Peclet number in a region of finite extension with both a curved solidification interface and a curved melting interface. Two types of boundary conditions at the melting interface were analyzed. Some special cases such as infinite extension in the longitudinal direction and special range of Peclet number were reduced from the general solution and discussed in detail.

A new dynamic model for study of dislocation pattern formation

Based on the principle given in nonlinear diffusion-reaction dynamics, a new dynamic model for dislocation patterning is proposed by introducing a relaxation time to the relation between dislocation density and dislocation flux. The so-called chemical potential like quantities, which appear in the model can be derived from variation principle for free energy functional of dislocated media, where the free energy density function is expressed in terms of not only the dislocation density itself but also their spatial gradients. The Linear stability analysis on the governing equations of a simple dislocation density shows that there exists an intrinsic wave number leading to bifurcation of space structure of dislocation density. At the same time, the numerical results also demonstrate the coexistence and transition between different dislocation patterns.

Concentration distribution in crystallization from solution under microgravity

Concentration distribution in crystallization from solution under microgravity is numerically studied. A quasi-steady state growth and dissolution in a 2D rectangular enclosure filled with sodium chlorate (NaClO3) aqueous solution, in which one wall is the growth surface of the crystal and the opposite one is the dissolution surface, is considered. The solute transport process at the growth surface is described by the diffusion-reaction theory with finite interface kinetics coefficient. The results show that the concentration at the growth surface is supersaturated and the supersaturation distribution is of non-uniformity, i.e. the supersaturation in a region facing an incoming flow is high. On the other hand, the non-uniformity of supersaturation at the growth surface is closely related to the gravity level even under microgravity, it exponentially increases as the thermal Rayleigh number on behalf of the gravity level rises.

Numerical simulation of hypersonic viscous flow around space shuttle with method of diffusion analogy

Hypersonic viscous flow around a space shuttle with M(infinity) = 7, Re = 148000 and angle of attack alpha = 5-degrees is simulated numerically with the special Jacobian matrix splitting technique and simplified diffusion analogy method. With the simplified diffusion analogy method the efficiency of computation and resolution of the shock can be improved.

A perturbational h4 exponential finite-difference scheme for the convective diffusion equation

A perturbational h4 compact exponential finite difference scheme with diagonally dominant coefficient matrix and upwind effect is developed for the convective diffusion equation. Perturbations of second order are exerted on the convective coefficients and source term of an h2 exponential finite difference scheme proposed in this paper based on a transformation to eliminate the upwind effect of the convective diffusion equation. Four numerical examples including one- to three-dimensional model equations of fluid flow and a problem of natural convective heat transfer are given to illustrate the excellent behavior of the present exponential schemes, the h4 accuracy of the perturbational scheme is verified using double precision arithmetic.

H4 exponential finite-difference scheme for convective diffusion-equations

Perturbations are applied to the convective coefficients and source term of a convection-diffusion equation so that second-order corrections may be applied to a second-order exponential scheme. The basic Structure of the equations in the resulting fourth-order scheme is identical to that for the second order. Furthermore, the calculations are quite simple as the second-order corrections may be obtained in a single pass using a second-order scheme. For one to three dimensions, the fourth-order exponential scheme is unconditionally stable. As examples, the method is applied to Burgers' and other fluid mechanics problems. Compared with schemes normally used, the accuracies are found to be good and the method is applicable to regions with large gradients.