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Savvin, M. V., & Nazarov, A. V. (2018). Simulation of Correlation Effects in Ordering Binary Alloys. KnE Materials Science, 4(1), 378–388. https://doi.org/10.18502/kms.v4i1.2188

https://doi.org/10.18502/kms.v4i1.2188

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  • M V Savvin
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  • A V Nazarov
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Published Date

  • May 6, 2018

Simulation of Correlation Effects in Ordering Binary Alloys

KnE Materials Science / 15th International School-Conference "New Materials – Materials of Innovative Energy" (MIE) / Pages 378–388

Abstract

In this paper, computer simulation is used to study correlation effects for vacancy in the binary ordering alloys. At first we obtain a set of equilibrium states by Monte Carlo method for different temperatures and then we simulate the vacancy migration by Kinetic Monte Carlo using atomic structures of mentioned states. Correlationfactordependencies fromthe temperature and short-range order parameter are derived for the vacancy migration.

References
[1] H. Mehrer, Diffusion in solids – fundamentals, methods, materials, diffusion-controlled processes,Textbook, Springer Series in Solid-State Sciences Vol. 155, Spriner-Verlag, Berlin Heldeberg,July 2007.


[2] J.R. Manning, Correlation factors for diffusion in nondilute alloys, Phys. Rev. B 4 (1971) pp.1111–1121.


[3] J.R. Manning, Diffusion kinetics for atoms in crystals, Am. J. Phys. 36 (1968) pp. 922– 923.


[4] I.V. Belova and G.E. Murch, Tracer correlation factors in the random alloy, Philos. Mag. A 80(2000) pp. 1469–1479.


[5] I.V. Belova and G.E. Murch, Collective diffusion in the binary random alloy, Philos. Mag. A 80(2000) pp. 599–607.


[6] I.V. Belova and G.E. Murch, Theory of diffusion kinetics in the bcc random alloy, Philos. Mag.A 77 (1998) pp. 1053–1065.


[7] A.B. Lidiard, A note on Manning’s relations for concentrated multicomponent alloys, Acta Metal.34 (1986) pp. 1487–1490.


[8] L. Zhang, W.A. Oates, and G.E. Murch, A computer simulation study of manning’s relations ina binary alloy with order, Philos. Mag. Part B 60 (1989) pp. 277–288.


[9] A.B. Lidiard, G.E. Murch, Z. Qin, and L. Zhang, Relations between tracer diffusion coefficientsand phenomenological coefficients in a binary substitutional alloy, Philos. Mag. A 62 (1990)pp. 595–604.


[10] Z. Qin and G.E. Murch, Relations between atomic transport coefficients in a binary system,Philos.Mag. A 67 (1993) pp. 757–776.


[11] R. Tahir-Kheli and R.J. Elliott, Correlated random walk in lattices: tracer diffusion at generalconcentration, Phys.Rev. B 27 (1983) pp. 844–857.


[12] S.W. Kelly and C.A. Sholl, Theory and Monte Carlo calculation of the tracer correlation factor,J. Phys. C 20 (1987) pp. 5293–5304.


[13] P. Holdsworth and R.J. Elliott, Correlated random walk in a multicomponent alloy selfconsistentdecoupling approximation, Philos. Mag. A 54 (1986) pp. 601–618.


[14] L. Moleko, A.R. Allnatt, and E. Allnatt, A self-consistent theory of matter transport in a randomlattice gas and some simulation results, Philos. Mag. A 59 (1989) pp. 141–160.


[15] A. V. Nazarov, K.P.Gurov, “Kinetic Theory of Interdiffusion in Binary System. Influence of non-equilibrium vacancies on interdiffusion”, Fizika metallov i metallovedenie, Vol, 37, pp 496-503 (1974). (in Russian) There is translation: Phys.Metals. and Metallography, Vol.37, N3 pp.41-47 (1974).


[16] A. V. Nazarov, K.P.Gurov, “Kinetic Theory of Interdiffusion in Binary System. Influence of concentration dependence of self-diffusion coefficients on interdiffusion process”, Fizika metallov i metallovedenie, Vol 38, pp 486-492 (1974). (in Russian) There is translation: Phys.Metals. and Metallography, Vol.38, N3, pp 30-35 (1974).


[17] K. S. Musin, A.V.Nazarov, K.P.Gurov,” Influence of Ordering on Interdiffusion in Binary Alloys with BCC and FCC Structure”, Fizika metallov i metallovedenie., 1987, 63, pp 267-277. (in Russian) There is translation: Phys.Metals. and Metallography, 1987, Vol.63, N2, pp.51-59.