Short order and hydrogen transport in amorphous palladium materials / Pastukhov E.A., Sidorov N.I., Polukhin V.A., Chentsov V.P. // Defect and Diffusion Forum. - 2008. - V. 283-286, l. . - P. 149-154.

ISSN:

10120386

Type:

Article

Abstract:

Molecular dynamics simulation was used for investigating hydrogen migration in Pd-Si alloy at a temperature T = 300 K. The strong affect of hydrogen dynamics and its defects creation to structure of palladium matrix is stated. The partial radial distribution function calculation for silicon specifies a preferable arrangement of silicon atoms relative to each other in the second coordination sphere. Model calculations have shown that not only silicon atoms can affect hydrogen mobility. Hydrogen itself also can significantly change the diffusion of the other components in the alloy.

Author keywords:

Amorphous materials; Computer simulation; Crystal lattice; Diffusion; Hydrogen solubility; Molecular dynamics; Palladium; Radial distribution function; Short range order

Index keywords:

Coordination spheres; Hydrogen dynamics; Hydrogen migrations; Hydrogen mobilities; Hydrogen solubility; Hydrogen transports; matrixes; Model calculations; Molecular dynamics simulations; Partial radia

DOI:

10.4028/3-908454-50-6.149

Смотреть в Scopus:

https://www.scopus.com/inward/record.uri?eid=2-s2.0-62149123304&doi=10.4028%2f3-908454-50-6.149&partnerID=40&md5=3a99fa58735d524312b709d547145e07

Соавторы в МНС:

—

Другие поля

Поле	Значение
Link	https://www.scopus.com/inward/record.uri?eid=2-s2.0-62149123304&doi=10.4028%2f3-908454-50-6.149&partnerID=40&md5=3a99fa58735d524312b709d547145e07
Affiliations	Institute of Metallurgy UrD, Russian Academy of Sciences, Yekaterinburg, Russian Federation
Author Keywords	Amorphous materials; Computer simulation; Crystal lattice; Diffusion; Hydrogen solubility; Molecular dynamics; Palladium; Radial distribution function; Short range order
References	Kirchheim, R., et., al., (1988) Mater. Sci. Eng, 99, p. 457; Larikov, L.I., (1993) Metallophysics, 15, p. 54; Vatolin, N.A., Poluhkin, V.A., Belyakova, R.M., Pastukhov, E.A., (1988) Mater. Sci. Eng, 99, p. 551; V.A. Poluhkin, N.I. Sidorov, N.A. Vatolin: Melts, No2, (1997), p. 3; Kichheim, R., (1982) Acta Metallurgica, 30, p. 1069; Pastukhov, E.A., Vatolin, N.A., Lisin, V.L., Denisov, V.M., Kachin, S.V., (2003) Diffraction researches of high-temperature structure melts, , Ekaterinburg. UrO RAN; Verlet, L., (1976) Phys. Rev, 159, p. 98; Polukhin, V.A., Pastukhov, E.A., Sidorov, N.I., (1984) Phys. Met. Metallogr, 57, p. 1069; Varaksin, A.N., Kozjajchev, V.S., (1991) Phys. Met. Metallogr, 57, p. 45; N.I. Sidorov, E.A. Pastukhov: Third Russian conference Hydrogen energetic physical problems, S-Peterburg, 2006, p.39; Poluhkin, V.A., Vatolin, N.A., (1985) Modelling of amorphous metals, , M, Science; Ivanova, V.S., Balankin, A.S., Bunin, I.J., Oksogoev, A.A., Synergy and fractals in the material science, M (1994) Science, p. 383; V.M. Avdukhin, A.A. Katsnelson, G.P. Revkevich: Crystallography, Vestnik Mosk. Univ. Ser.3, 40. (1999), p. 44; Arronson, B., Nylund, A., (1960) Acta Chem. Scand, 14, p. 1011; Kirchheim, R., Sommer, F., Schluckebier, G., (1982) J. Acta Metall, 30, p. 1059; R. Kichheim, Szokefalvi-Nagy, A. Stolz, A. Spelling: J. Non-Cryst. Solids 70 (1985), p. 323; Richards, P.M., (1983) Phys.Rev, 27, p. 2059
Correspondence Address	Pastukhov, E. A.; Institute of Metallurgy UrD, Russian Academy of Sciences, Yekaterinburg, Russian Federation; email: past@imet.mplik.ru
CODEN	DDAFE
Language of Original Document	English
Abbreviated Source Title	Defect Diffus. Forum
Source	Scopus