Using molecular dynamics, the characteristics of over-barrier hydrogen diffusion (specifically, activation energy and pre-exponential factor in the Arrhenius equation) in fcc-metals Pd, Ag, and Al are calculated. It is shown that the prevailing mechanism of the over-barrier hydrogen diffusion in fcc-metals consists in successive crossing of octahedral and tetrahedral spheres.
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References
I. P. Chernov, Yu. P. Cherdantsev, N. N. Nikitenkov, et al., Izv. RAS. Fiz., 72, No. 7, 1018–1020 (2008).
(Ed. A. P. Zakharov) Interaction Hydrogen with Metals [in Russian], Moscow, Nauka (1987).
A. V. Gapontsev and V. V. Kondratied, Usp. Fiz. Nauk, 173, No. 10, 1107–1129 (2003).
Yu. A. Kashlev, Theor. Math. Phys., 145, No. 2, 256–271 (2005).
H. Kurokawa, T. Nakayama, Y. Kobayashi, et al., Catalysis Today, 82, 233– 240 (2003).
F. Cleri and V. Rosato, Phys. Rev. B, 48, No. 1, 22–33 (1993).
G. Zhou, F. Zhou, X. Zhao, et al., Sci. China. Ser. E, 41, No. 2, 176–181 (1998).
G. M. Poletaev and M. D. Starostenkov, Fiz. Tverd. Tel., 52, No. 6, 1075–1082 (20110).
G. M. Poletaev, N. A. Kulabukhova, and M. D. Starostenkov, Fund. Probl. Sovr. Materialoved., 7, No. 4, 104–107 (20101).
P. Kamakoti, D. S. Sholl, Fuel Chemistry Division Preprints, 47, No. 2, 818–819 (2002).
L. V. Spivak, N. E. Skryabina, and M. Ya. Katz, Hydrogen and Mechanical Implication in Metals and Alloys [in Russian], Perm, PSU Publ. (1993).
L. N. Larikov and V. I. Isaichev, Diffusion in Metals and Alloys [in Russian], Kiev, Naukova Dumka (1987).
A. M. Polanskii, V. A. Polanskii, and D. B. Popov-Dyumin, Int. Sci. J. Alternat. Energ. Ecolog., 21, No. 1, 42–46 (2005).
N. A. Kulabukhova, G. M. Poletaev, M. D. Starostenkov, ans P. D. Golub’, Izv. Altai University. Series Mathematics and Mechanics. Control, Computer Technologies and Informatics. Physics, 69, No. 1, 160–165 (2011).
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Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 12, pp. 86–91, December, 2011.
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Kulabukhova, N.A., Poletaev, G.M., Starostenkov, M.D. et al. A molecular dynamics study of hydrogen-atom diffusion in fcc-metals. Russ Phys J 54, 1394–1400 (2012). https://doi.org/10.1007/s11182-012-9760-2
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DOI: https://doi.org/10.1007/s11182-012-9760-2