Simulation of Interstitial Atom Diffusion in FCC Metals with Point Defects

Liudmila V. Selezneva; Andrei V. Nazarov

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

Paper Titles

Hysteresis in the Process of Phase Separation of Nanopowder
p.1252

Study of Fe₃Al-Based Alloys by Internal Friction and ⁵⁹Fe Radiotracer Diffusion Measurements
p.1258

Calculating of Diffusion Paths in Ternary Systems Using Effective Interdiffusion Coefficients of Components
p.1264

Nitriding Kinetics of Fe-Cr Alloys
p.1270

Simulation of Interstitial Atom Diffusion in FCC Metals with Point Defects
p.1275

3D Monte-Carlo Model of Deposition and Grain Growth in Thin Films
p.1281

Diffusion Measurements of ⁶⁷Ga in Polycrystalline Magnesium
p.1287

Structural and Transport Properties of La_1-xSr_xCo_{1- y-z}Fe_yNi_zO_3-δ Perovskites
p.1293

Lithium Diffusion in LiMn_yFe_1-yPO₄ Cathode Material
p.1299

HomeDefect and Diffusion ForumDefect and Diffusion Forum Vols. 237-240Simulation of Interstitial Atom Diffusion in FCC...

Simulation of Interstitial Atom Diffusion in FCC Metals with Point Defects

Abstract:

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.

You might also be interested in these eBooks

View Preview

Info:

Periodical:

Defect and Diffusion Forum (Volumes 237-240)

Pages:

1275-1280

DOI:

https://doi.org/10.4028/www.scientific.net/DDF.237-240.1275

Citation:

Cite this paper

Online since:

April 2005

Authors:

Liudmila V. Selezneva, Andrei V. Nazarov

Keywords:

Activation Barrier, Diffusion, Interstitial, Vacancy

Export:

RIS, BibTeX

Price:

Permissions CCC:

Request Permissions

Permissions PLS:

Request Permissions

Сopyright:

Citation:

References

[1] A.V. Nazarov and V.T. Borisov: Problemy metallovedenia i fisiky metallov, edited by A.V. Shalimova, 6 (1980), p.35.

Google Scholar

[2] P. Wynblatt: Jour. Phys. And Chem. of Solids, Vol. 29, № 2 (1968), p.215.

Google Scholar

[3] J.R. Beeler, Jr.: Interatomic Potent. And Simul. Lattice Defects, Battelle Inst., Seatle, WashHarrison Hot Springs, 1971, p.319.

Google Scholar

[4] M.G. Ganchenkova and A.V. Nazarov: Diffusion Mechanisms in Crystalline Materals, edited by Y. Mishin, G. Vogl, N. Cowern, R. Catlow and D. Farkas, Vol. 527 (1998), p.221.

Google Scholar

[5] M.G. Ganchenkova and A.V. Nazarov: Metal Physics and Advanced technologies, Vol21, №1 (1998), p.46.

Google Scholar

[6] M.G. Ganchenkova and A.V. Nazarov: Diffusion and Reactions, Solid State phenomena, Vol. 72 (2000), p.215.

Google Scholar

[7] M.G. Ganchenkova and A.V. Nazarov: Comput. Mater. Sci., vol. 17, №2-4 (2000), p.319. D def / D p. l. 0, 7 0, 77 0, 84 0, 91 0, 98 1, 05 00 , 51 1000 K / T.

Google Scholar