Abstract
The interdiffusion process in a three-component alloy system has been studied by means of numerical analysis. The composition profiles for a ternary system were generated making use of the closed-form solution with a constant interdiffusion matrix with the accompanying analysis of the diffusion paths. Two methods [the Fitting Method and the modified square root diffusivity (MSQRD) method] have been considered to investigate the inverse interdiffusion problem for application to a single interdiffusion couple measurement. The Fitting Method simultaneously fits the required functional form into the data obtained for two composition profiles. Such fitted parameters are used to determine the constant interdiffusion matrix. The MSQRD method has been applied to the generated composition profiles and performs very well for all the cases considered. It was found that the errors of the MSQRD method are, in general, lower than in the use of the Fitting Method even without imposing artificial noise on the composition profiles to mimic the experimental data. In addition, it has been shown that the back-tests of the composition profiles must not be used as the only proof of the reliability of the methods used.
Similar content being viewed by others
References
L. Boltzmann, Zur integration der diffusionsgleichung bei variabeln diffusionscoefficienten, Ann. Phys., 1894, 289, p 959-964
C. Matano, On the Relation Between the Diffusion-Coefficients and Concentrations of Solid Metals (the Nickel-Copper System), Jpn. J. Phys., 1933, 8, p 109-113
F. Sauer and V. Freise, Diffusion in binären Gemischen mit Volumenänderung, Ber. Bunsenges. Phys. Chem., 1962, 66, p 353-362
L.D. Hall, An Analytical Method of Calculating Variable Diffusion Coefficients, J. Chem. Phys., 1953, 21, p 87-89
T. Ahmed, I.V. Belova, A.V. Evteev, E.V. Levchenko, and G.E. Murch, Comparison of the Sauer-Freise and Hall Methods for Obtaining Interdiffusion Coefficients in Binary Alloys, JPED, 2015, 36, p 366-374
L.J. Gosting and H. Fujita, Interpretation of Data for Concentration-Dependent Free Diffusion in Two-Component Systems, J. Am. Chem. Soc., 1957, 79, p 1359-1366
H. Fujita and L.J. Gosting, An Exact Solution of the Equations for Free Diffusion in Three-Component Systems with Interacting Flows, and Its Use in Evaluation of the Diffusion Coefficients, J. Am. Chem. Soc, 1956, 78, p 1099-1106
H. Fujita and L.J. Gosting, A New Procedure for Calculating the Four Diffusion Coefficients of Three-Component Systems from Gouy Diffusiometer Data, J. Phys. Chem., 1960, 64, p 1256-1263
M. Malik and D. Bergner, Methods for determination of effective diffusion coefficients in ternary alloys (i). Direct measurement of ternary diffusion matrix, Cryst.Res. Technol., 1985, 20, p 1283-1300
R. Bouchet and R. Mevrel, A Numerical Inverse Method for Calculating the Interdiffusion Coefficients Along a Diffusion Path in Ternary Systems, Acta Mater., 2002, 50, p 4887-4900
M. Dayananda and R. Grace, Ternary Diffusion in Copper-Zinc-Manganese Alloys, Trans. Metall. Soc. Aims, 1965, 233, p 1287-1293
T. O. Ziebold, Ternary Diffusion in Copper-Silver-Gold Alloys, Massa. Inst. Tech., 1965.
J.S. Vrentas and C.M. Vrentas, Theoretical Aspects of Ternary Diffusion, Ind. Eng. Chem. Res., 2005, 44, p 1112-1119
K.-Y. Tsai, M.-H. Tsai, and J.-W. Yeh, Sluggish Diffusion in Co-Cr-Fe-Mn-Ni high-entropy alloys, Acta Mater., 2013, 61, p 4887-4897
J. Dąbrowa, W. Kucza, G. Cieślak, T. Kulik, M. Danielewski, and J.-W. Yeh, Interdiffusion in the FCC-Structured Al-Co-Cr-Fe-Ni High Entropy Alloys: Experimental Studies and Numerical Simulations, J. Alloys Comp, 2016, 674, p 455-462
S.V. Divinski, A. Pokoev, N. Esakkiraja, and A. Paul, A Mystery of “Sluggish Diffusion” in High-Entropy Alloys: the Truth or a Myth?, Diffus, Found., 2018, 17, p 29-68
M.A. Dayananda and Y. Sohn, A New Analysis for the Determination of Ternary Interdiffusion Coefficients From a Single Diffusion Couple, Metall. Mater. Trans. A, 1999, 30, p 535-543
K.M. Day, M.A. Dayananda, and L. Ram-Mohan, Determination and Assessment of Ternary Interdiffusion Coefficients from Individual Diffusion Couples, JPED, 2005, 26, p 579-590
M.A. Dayananda, Determination of Eigenvalues, Eigenvectors, and Interdiffusion Coefficients in Ternary Diffusion from Diffusional Constraints at the Matano plane, Acta Mater., 2017, 129, p 474-481
M. Thompson and J. Morral, The Square Root Diffusivity, Acta Metall., 1986, 34, p 2201-2203
M. Thompson, J. Morral, and A. Romig, Applications of the Square Root Diffusivity to Diffusion in Ni-Al-Cr Alloys, Metall. Trans. A, 1990, 21, p 2679-2685
A.V. Jaques and J.C. LaCombe, A Stable and Efficient Regression Approach for Determination of Coefficients in Linear Multicomponent Diffusion, JPED, 2012, 33, p 181-188
W. Hopfe and J. Morral, Uncertainty Analysis of Ternary Diffusivities Obtained from One Versus Two Compact Diffusion Couples, JPED, 2016, 37, p 110-118
J. Morral and W. Hopfe, Validation of Multicomponent Diffusivities Using One Diffusion Couple, JPED, 2014, 35, p 666-669
M.K. Stalker, J.E. Morral, and A.D. Romig, Jr., Application of the square root diffusivity to diffusion in Ni-Cr-Al-Mo alloys, Metall. Trans. A, 1992, 23A, p 3245-3249
J.E. Morral, Body-Diagonal Diffusion Couples for High Entropy Alloys, JPED, 2018, 39, p 51-56
L. Ram-Mohan and M.A. Dayananda, A Transfer-Matrix Method for Analysis of Multicomponent Diffusion with any Number of Components, JPED, 2006, 27, p 566-571
R. Mohanty and Y. Sohn, Phase-Field Investigation of Multicomponent Diffusion in Single-Phase and Two-Phase Diffusion Couples, JPED, 2006, 27, p 676-683
M.A. Dayananda, An Examination of a Multicomponent Diffusion Couple, JPED, 2006, 27, p 572-581
C.J. O’Brien and A. Lupulescu, VisiMat-Software for the Visualization of Multicomponent Diffusion in Two and Three Dimensions, JPED, 2007, 28, p 335-341
M.S. Thompson and J.E. Morral, The Effect of Composition on Interdiffusion in Ternary Alloys, Acta Metall., 1986, 34, p 339-346
P.K. Gupta and A.R. Cooper, The [D] Matrix for Multicomponent Diffusion, Physica, 1971, 54, p 39-59
J.S. Krishtal, A.P. Mokrov, A.V. Akimov, and P.N. Zakharov, Some Methods for Determining Diffusion Coefficients in Multicomponent Systems, Fiz. Metal. Metalloved., 1973, 35, p 1234-1240 (in Russian)
Acknowledgment
The research was supported under the Australian Research Council Discovery Project funding scheme (Project Number: DP 170101812).
Author information
Authors and Affiliations
Corresponding author
Additional information
Publisher's Note
Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.
This invited article is part of a special issue of the Journal of Phase Equilibria and Diffusion in honour of the 2018 J. Willard Gibbs Phase Equilibria Award winner, Dr. John Morral. The award was presented to Dr. Morral during MS&T’18, October 14-18, 2018, in Columbus, Ohio, “for fundamental and applied research on topology of phase diagrams and theory of phase equilibria resulting in major advances in the calculation and interpretation of phase equilibria and diffusion.”
Rights and permissions
About this article
Cite this article
Afikuzzaman, M., Belova, I.V., Murch, G.E. et al. Interdiffusion Analysis in Ternary Systems to Process Composition Profiles and Obtain Constant Interdiffusion Coefficients Using One Compact Diffusion Couple. J. Phase Equilib. Diffus. 40, 522–531 (2019). https://doi.org/10.1007/s11669-019-00740-0
Received:
Revised:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11669-019-00740-0