Simulation of the influence of hydrogen on the structural properties of amorphous iron / Vatolin N.A., Polukhin V.A., Belyakova R.M., Pastukhov E.A. // Materials Science and Engineering. - 1988. - V. 99, l. 1-2. - P. 551-554.

ISSN:

00255416

Type:

Article

Abstract:

A molecular dynamics investigation has been carried out to determine the nature of the influence of hydrogen on the physicochemical properties and the structure of iron in different states during hydrogenation. The introduction of hydrogen into the molecular dynamics model in the form of an effectively screened proton produced changes in the symmetry of the second peak splitting of the radial distribution function and led to the appearance of a supplementary structure in the energy distribution functions. The above-mentioned features are due to the abnormally high hydrogen diffusion in the iron matrix, leading to the appearance of a network of defects which are in dynamic equilibrium with the relaxation processes. © 1988.

Author keywords:

Index keywords:

Chemical Reactions - Hydrogenation; Hydrogen; Defects; Energy Distribution Function; Molecular Dynamics; Radial Distribution Function; Iron And Alloys

DOI:

10.1016/0025-5416(88)90396-5

Смотреть в Scopus:

https://www.scopus.com/inward/record.uri?eid=2-s2.0-0023966616&doi=10.1016%2f0025-5416%2888%2990396-5&partnerID=40&md5=9ecadee44b3fa26f0d15b45da5dbe109

Соавторы в МНС:

Другие поля

Поле	Значение
Link	https://www.scopus.com/inward/record.uri?eid=2-s2.0-0023966616&doi=10.1016%2f0025-5416%2888%2990396-5&partnerID=40&md5=9ecadee44b3fa26f0d15b45da5dbe109
Affiliations	Institute of Metallurgy, Ural Science Centre, U.S.S.R. Academy of Sciences, 620219 Sverdlovsk, Russian Federation
References	Mullins, Computer simulation of fracture using long range pair potentials (1983) Acta Metallurgica, 32, p. 381; Polukhin, Vatolin, (1985) Simulation of Amorphous Metals, , Nauka, Moscow; Polukhin, Vatolin, Belyakova, Pastukhov, (1986) Dokl. Akad. Nauk S.S.S.R., 287, p. 1391; Shmyreva, Mukhin, Dolzhenkov, (1986) Proc. 6th Conf. on the Construction and Properties of Metal and Slag Melts, p. 51. , Ural Science Centre U.S.S.R. Academy of Sciences, Sverdlovsk, Part 2
Correspondence Address	Vatolin, N.A.; Institute of Metallurgy, Ural Science Centre, U.S.S.R. Academy of Sciences, 620219 Sverdlovsk, Russian Federation
Language of Original Document	English
Source	Scopus