Simulation of Interstitial Atom Diffusion in FCC Metals with Point Defects

Abstract:

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This work is devoted to simulation of interstitial atom diffusion in fcc metals with point defects. We used the molecular static and the Monte Carlo methods. An activation barrier set for different configurations of the carbon–vacancy complexes is simulated by the method of the molecular static (MS). Then we calculate atom jump rates for these configurations. The simulation of the carbon and vacancy migration in an fcc metal is realized on the basis of obtained atom jump rates by using the Monte-Carlo (MC) method. In particular, the calculations were made for the system of the nickel-carbon. In the result of that interstitial atom diffusion coefficient has been obtained at different temperatures.

Info:

Periodical:

Defect and Diffusion Forum (Volumes 237-240)

Edited by:

M. Danielewski, R. Filipek, R. Kozubski, W. Kucza, P. Zieba, Z. Zurek

Pages:

1275-1280

DOI:

10.4028/www.scientific.net/DDF.237-240.1275

Citation:

L. V. Selezneva and A. V. Nazarov, "Simulation of Interstitial Atom Diffusion in FCC Metals with Point Defects", Defect and Diffusion Forum, Vols. 237-240, pp. 1275-1280, 2005

Online since:

April 2005

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$35.00

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