Statistical calculations of tracer and intrinsic diffusion coefficients in concentrated alloys and estimates of microscopic parameters of diffusion from experimental data

Author(s):  
V.G. Vaks ◽  
A.Yu. Stroev ◽  
I.R. Pankratov ◽  
K.Yu. Khromov ◽  
A.D. Zabolotskiy ◽  
...  
2012 ◽  
Vol 727-728 ◽  
pp. 163-168 ◽  
Author(s):  
Marcos Flavio de Campos

In the case of the modeling of sintering and heat treatments, the diffusion coefficients are an essential input. However, experimental data in the literature about diffusion coefficients for rare-earth transition metal intermetallics is scarce. In this study, the available data concerning diffusion coefficients relevant for rare-earth transition metal magnets are reviewed and commented. Some empirical rules are discussed, for example the activation energy is affected by the size of the diffusing impurity atom. Diffusion coefficients for Dy, Nd and Fe into Nd2Fe14B are given according an Arrhenius equation D=D0exp (-Q/RT). For Dy diffusion into Nd2Fe14B, Q 315 kJ/mol and D08 . 10-4m2/s.


2019 ◽  
Vol 38 (2019) ◽  
pp. 151-157 ◽  
Author(s):  
Bartek Wierzba ◽  
Wojciech J. Nowak ◽  
Daria Serafin

AbstractThe interdiffusion in Ti-based alloys was studied. It was shown that during diffusion at 1,123 K formation of four intermetallic phases occurs. The diffusion paths for six different diffusion couples were determined. Moreover, the entropy production was calculated – the approximation used for determination of the sequence of intermetallic phase formation. In theoretical analysis, the intrinsic diffusion coefficients were determined from the modified Wagner method.


1973 ◽  
Vol 26 (4) ◽  
pp. 469 ◽  
Author(s):  
JJ Lowke

The relationship between current ratios and electron diffusion coefficients for the Townsend-Huxley experiment is reanalysed with the assumption that diffusion can be represented by two coefficients DT and DL for diffusion transverse and parallel respectively to the applied electric field. When the new formula is used to interpret previous experimental data obtained with a diffusion tube of length 2 cm, the derived values of DT/fl become independent of pressure (fl being the electron mobility). For longer diffusion tubes (~ 6 cm), current ratios are insensitive to DL and the results differ insignificantly from those obtained using the formula previously derived on the assumption that diffusion is isotropic.


2002 ◽  
Vol 16 (25) ◽  
pp. 3837-3846 ◽  
Author(s):  
A. Z. ZIAUDDIN AHMED ◽  
G. M. BHUIYAN

The embedded atom method (EAM) potentials, originally proposed for solid state calculations, have been applied to investigate the atomic transport property namely the diffusion coefficients of liquid Ni, Cu, Ag and Au. Two different liquid state theories, specifically the linearized Weeks–Chandler–Andersen (LWCA) theory and the Gibbs–Boguliubov variational method (GB) are used to evaluate the packing fraction near melting temperature. Calculated values for the diffusion coefficients are compared with the available experimental data. Results of variational calculations are found to be better in agreement. Results of calculations also allow us to conclude that the concerning EAM potentials are transferable to the study of atomic transport properties of liquid transition and noble metals.


2014 ◽  
Vol 19 (4) ◽  
pp. 568-588
Author(s):  
Ilmars Kangro ◽  
Harijs Kalis ◽  
Aigars Gedroics ◽  
Erika Teirumnieka ◽  
Edmunds Teirumnieks

In this paper we consider averaging and finite difference methods for solving the 3-D boundary-value problem in multilayered domain. We consider the metals Fe and Ca concentration in the layered peat blocks. Using experimental data the mathematical model for calculation of concentration of metals in different points in peat layers is developed. A specific feature of these problems is that it is necessary to solve the 3-D boundary-value problems for elliptic type partial differential equations (PDEs) of second order with piece-wise diffusion coefficients in the layered domain. We develop here a finite-difference method for solving of a problem of one, two and three peat blocks with periodical boundary condition in x direction. This procedure allows to reduce the 3-D problem to a system of 2-D problems by using circulant matrix.


2015 ◽  
Vol 137 (7) ◽  
Author(s):  
V. Arbabi ◽  
B. Pouran ◽  
H. Weinans ◽  
A. A. Zadpoor

Transport of solutes through diffusion is an important metabolic mechanism for the avascular cartilage tissue. Three types of interconnected physical phenomena, namely mechanical, electrical, and chemical, are all involved in the physics of transport in cartilage. In this study, we use a carefully designed experimental-computational setup to separate the effects of mechanical and chemical factors from those of electrical charges. Axial diffusion of a neutral solute (Iodixanol) into cartilage was monitored using calibrated microcomputed tomography (micro-CT) images for up to 48 hr. A biphasic-solute computational model was fitted to the experimental data to determine the diffusion coefficients of cartilage. Cartilage was modeled either using one single diffusion coefficient (single-zone model) or using three diffusion coefficients corresponding to superficial, middle, and deep cartilage zones (multizone model). It was observed that the single-zone model cannot capture the entire concentration-time curve and under-predicts the near-equilibrium concentration values, whereas the multizone model could very well match the experimental data. The diffusion coefficient of the superficial zone was found to be at least one order of magnitude larger than that of the middle zone. Since neutral solutes were used, glycosaminoglycan (GAG) content cannot be the primary reason behind such large differences between the diffusion coefficients of the different cartilage zones. It is therefore concluded that other features of the different cartilage zones such as water content and the organization (orientation) of collagen fibers may be enough to cause large differences in diffusion coefficients through the cartilage thickness.


1998 ◽  
Vol 513 ◽  
Author(s):  
A. Weidinger ◽  
J. Krauser ◽  
Th. Riedle ◽  
R. Klenk ◽  
M. Ch. Lux-Steiner ◽  
...  

ABSTRACTHydrogen diffusion in CuInSe 2 single crystals and CuInS2 thin films was studied by measuring the spreading of implantation profiles upon annealing. Deep implantation with an ion energy of 10 keV and sub-surface implantation with 300 eV were applied. The diffusion coefficients in both materials were found to be in the order of 10-14 to 10-13 cm2/s in the temperature range between 400 and 520 K.These fairly low diffusivities are typical for a trap and release transport process rather than intrinsic diffusion of interstitial hydrogen. In the polycrystalline CuInS2 films, hydrogen leaves the sample through the grain boundaries.


The influence of structural heterogeneity, in the form of a non-uniform pore size distribution, on the isotherms and surface diffusion coefficients for monolayer physical adsorption is studied. A pore size dependent langmuirian isotherm is used along with consideration of equality of chemical potentials at the pore mouths at an intersection. The diffusion is modelled by a recently developed random walk formulation. It is found that the surface diffusion coefficients are strongly influenced by the heterogeneity and have a stronger increase with overall coverage than that predicted by the Darken equation. The results are found to match the experimental data of P. C. Carman and F. A. Raal on the diffusion of carbon dioxide in carbon black without the use of a fitting parameter.


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