Using molecular dynamics simulation, this paper studies the influence of impurity atoms of carbon and oxygen on the migration velocity of triple junctions of grain boundaries created by misorientations about <111> axis in Ni, Ag, Al metals with the face-centered cubic crystal system. It is shown that the addition of impurity atoms of light elements substantially constrains the triple junctions from migration. Carbon atoms tend to create clusters which become effective locks when fixed at the grain boundaries, thereby preventing their migration. Oxygen atoms do not form aggregates, but due to high values of the binding energy between atoms and grain boundaries, they effectively inhibit their migration. Binding energies between carbon and oxygen atoms and grain boundary dislocations are calculated in metals at issue. The obtained results correlate with the dependencies between the migration velocity of the triple junctions and the impurity concentration.
This is a preview of subscription content, log in to check access.
Buy single article
Instant access to the full article PDF.
Price includes VAT for USA
Subscribe to journal
Immediate online access to all issues from 2019. Subscription will auto renew annually.
This is the net price. Taxes to be calculated in checkout.
I. A. Ovid'ko, N.V. Skiba, and A.G. Sheinerman, Mater. Phys. Mech., 8, No. 2, 149–154 (2009).
G. Gottstein, V. Sursaeva, and L. Shvindlerman, INTS, 7, 273–283 (1999).
S. G. Protasova, V. G. Sursaeva, and L. S. Shvindlerman, Phys. Solid State, 45, No. 8, 1471–1474 (2003).
M. Upmanyu, D. J. Srolovitz, L. S. Shvindlerman, and G. Gottstein, INTS, 7, 307–319 (1999).
M. Upmanyu, D. J. Srolovitz, L. S. Shvindlerman, and G. Gottstein, Acta Mater., 50, 1405–1420 (2002).
G. Poletaev, I. Zorya, and R. Rakitin, Comput. Mater. Sci., 148, 184–189 (2018).
G. M. Poletaev, I. V. Zorya, M. D. Starostenkov, et al., J. Exp. Theor. Phys., 128, No. 1, 88–93 (2019).
G. M. Poletaev, M. D. Starostenkov, I. V. Zorya, et al., Russ. Phys. J., 61, No. 7, 1236–1240 (2018).
H. J. Goldschmidt, Interstitial Alloys, Butterworths, London (1967), 640 p.
L. Pauling, The Nature of the Chemical Bond, Third Edition, Cornell University Press, Ithaca (1960), 664 p.
F. Cleri and V. Rosato, Phys. Rev. B, 48, No. 1, 22–33 (1993).
I. V. Zorya, G. M. Poletaev, and M. D. Starostenkov, Fundamental’nye problemy sovremennogo materialovedeniya, 15, No. 4, 526–532 (2018).
N.A. Kulabukhova, G.M. Poletaev, M.D. Starostenkov, et al., Russ. Phys. J., 54, No. 12, 1394–1400 (2011).
G. M. Poletaev, I. V. Zorya, D. V. Novoselova, and M. D. Starostenkov, Int. J. Mater. Res., 108, No. 10, 785– 790 (2017).
G. M. Poletaev and M. D. Starostenkov, Tech. Phys. Lett., 35, No. 1, 1–4 (2009).
M. Ruda, D. Farkas, and G. Garcia, Comput. Mater. Sci., 45, 550–560 (2009).
P. Vashishta, R. K. Kalia, A. Nakano, and J. P. Rino, J. Appl. Phys., 103, 083504 (2008).
R. G. A. Veiga, H. Goldenstein, M. Perez, and C. S. Becquart, Scripta Mater., 108, 19–22 (2015).
L. E. Kar’kina, I. N. Kar’kin, I. L. Yakovleva, and T. A. Zubkova, Phys. Met. Metallogr., 114, No. 2, 155–161 (2013).
A. Atrens, Scripta Metall., 8, 401–412 (1974).
V. Sursaeva and P. Zieba, Defect Diffus. Forum, 237–240, 578–583 (2005).
Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 10, pp. 83–87, October, 2019.
About this article
Cite this article
Poletaev, G.M., Zorya, I.V., Rakitin, R.Y. et al. Influence of Carbon and Oxygen Impurities on Migration Velocity of Grain-boundary Triple Junctions in FCC Metals. Russ Phys J (2020). https://doi.org/10.1007/s11182-020-01914-x
- molecular dynamics
- triple junction
- grain boundary