Influence of carbon and oxygen impurities on diffusion along tilt boundaries in nickel and silver
The effect of carbon and oxygen impurity atoms on the diffusion along tilt grain boundaries with misorientation axes <111>, <100> and <110> in fcc metals Ni and Ag was studied by mean of molecular dynamics method. It is shown that impurities in most cases lead to an increase in the self-diffusion coefficient along grain boundaries, because of the deformation of the crystal lattice near impurity atoms, which leads to additional distortions and free volume along the boundaries. Moreover, the smaller the grain boundary initially contains the free volume, the stronger the impurities affect the self-diffusion along it. In this regard, the greatest influence of impurities was observed for the <110> tilt boundaries and the smallest - for the <100> boundaries. Carbon impurity exerted an influence on self-diffusion along the considered boundaries, as a rule, stronger than oxygen.
Keywords
molecular dynamics,
metal,
impurity,
grain boundary,
tilt boundary,
diffusionAuthors
| Poletaev G.M. | Polzunov Altai State Technical University | gmpoletaev@mail.ru |
| Zorya I.V. | Siberian State Industrial University | zorya.i@mail.ru |
| Rakitin R.Y. | Altai State University | movehell@gmail.com |
| Starostenkov M.D. | Polzunov Altai State Technical University | genphys@mail.ru |
Всего: 4
References
Veiga R.G.A., Goldenstein H., Perez M., and Becquart C.S. // Scripta Mater. - 2015. - V. 108. - P. 19-22.
Карькина Л.Е., Карькин И.Н., Яковлева И.Л., Зубкова Т.А. // ФММ. - 2013. - Т. 114. - № 2. - С. 172-178.
Atrens A. // Scripta Metall. - 1974. - V. 8. - P. 401-412.
Sursaeva V. and Zieba P. // Defect and Diffusion Forum. - 2005. - V. 237-240. - P. 578-583.
Полетаев Г.M., Зоря И.В., Старостенков M.Д. и др. // Ивз. вузов. Физика. - 2018. - Т. 61. - № 7. - С. 47-51.
Iwasaki T., Sasaki N., Yasukawa A., and Chiba N. // Jpn. Soc. Mech. Eng. A. - 1997. - V. 40. - P. 15-22.
Goldschmidt H.J. Interstitial Alloys. - London: Butterworths, 1967. - 640 p.
Pauling L. The Nature of the Chemical Bond, Third Edition. - Ithaca: Cornell University Press, 1960. - 664 p.
Cleri F. and Rosato V. // Phys. Rev. B. - 1993. - V.48. - No. 1. - P. 22-33.
Poletaev G.M., Zorya I.V., Rakitin R.Y., and Iliina M.A. // Mater. Phys. Mech. - 2019. - V. 42. - No. 4. - P. 380-388.
Poletaev G.M., Zorya I.V., Novoselova D.V., and Starostenkov M.D. // Int. J. Mater. Res. - 2017. - V. 108. - No. 10. - P. 785-790.
Poletaev G.M. and Starostenkov M.D. // Tech. Phys. Lett. - 2003. - V. 29. - No. 6. - P. 454-455.
Полетаев Г.М., Зоря И.В. // Письма в ЖТФ. - 2020. - Т. 46. - Вып. 12. - С. 6-9.
Ruda M., Farkas D., and Garcia G. // Comput. Mater. Sci. - 2009. - V. 45. - P. 550-560.
Vashishta P., Kalia R.K., Nakano A., and Rino J.P. // J. Appl. Phys. - 2008. - V. 103. - P. 083504.
San Miguel M.A. and Sanz J.F. // Phys. Rev. B. - 1998. - V. 58. - P. 2369-2371.
Ovid'ko I.A. and Sheinerman A.G. // Rev. Adv. Mater. Sci. - 2004. - V. 6. - No. 1. - P. 41-47.
Zhou Y., Erb U., Aust K.T., and Palumbo G. // Scripta Mater. - 2003. - V. 48. - P. 825-830.
Prokoshkina D., Esin V.A., Wilde G., and Divinski S.V. // Acta Mater. - 2013. - V. 61. - P. 5188-5197.
Poletaev G.M., Zorya I.V., Starostenkov M.D., et al. // J. Exp. Theor. Phys. - 2019. - V. 128. - No. 1. - P. 88-93.
Штремель М.А. Прочность сплавов. Ч 1. Дефекты решетки. - М.: Металлургия, 1982. - 280 с.
Vykhodets V.B., Kurennykh T.E., Lakhtin A.S., and Fishman A.Ya. // Solid State Phenomena. - 2008. - V. 138. - P. 119-132.
