Abstract
The effect of vacancy concentration on the migration velocity of large-angle tilt grain boundaries with the disorientation axes 〈111〉 and 〈100〉 in nickel is studied by the molecular dynamics method. The dependence of the migration velocity on the concentration of vacancies introduced at the initial simulation stage is shown to have a maximum near 1%. A decrease in the migration velocity during further increase in the free volume is mainly due to the boundary retardation by low-mobile vacancy clusters, which already cannot be absorbed by the boundary at high vacancy concentrations. The second cause of a decrease in the migration velocity with an increase in the vacancy concentration above 1% is a decrease in the surface tension of grain boundaries and, correspondingly, the moving force of their migration due to a finite sorption capacity of the boundaries with respect to the excess free volume.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
REFERENCES
G. Gottstein and L. S. Shvindlerman, Grain Boundary Migration in Metals: Thermodynamics, Kinetics, Applications, 2nd ed. (CRC, Boca Raton, 2009).
O. A. Kaibyshev and R. Z. Valiev, Grain Boundaries and Metal Properties (Metallurgiya, Moscow, 1987) [in Russian].
Q. Zhu, S. C. Zhao, C. Deng, X. H. An, K. X. Song, S. X. Mao, and J. W. Wang, Acta Mater. 199, 42 (2020).
G. Gottstein, D. A. Molodov, and L. S. Shvindlerman, Interface Sci. 6, 7 (1998).
L.-L. Niu, Q. Peng, F. Gao, Zh. Chen, Y. Zhang, and G.-H. Lu, J. Nucl. Mater. 512, 246 (2018).
G. M. Poletaev, I. V. Zorya, R. Y. Rakitin, M. A. Iliina, and M. D. Starostenkov, Lett. Mater. 9, 391 (2019).
F. Haessner, J. Phys. Colloq. C 36, 345 (1975).
H. Takahashi and N. Hashimoto, Mater. Trans. 34, 1027 (1993).
G. Lu and N. Kioussis, Phys. Rev. B 64, 024101 (2001).
P. Ballo, N. Kioussis, and G. Lu, Phys. Rev. B 64, 024104 (2001).
B. Oberdorfer, D. Setman, E.-M. Steyskal, A. Hohenwater, W. Sprengel, M. Zehetbauer, R. Pippan, and R. Wurschum, Acta Mater. 68, 189 (2014).
S. V. Divinski, Diff. Found. 5, 57 (2015).
R. T. Murzaev and A. A. Nazarov, Phys. Met. Metall. 102, 198 (2006).
Y. Estrin, G. Gottstein, E. Rabkin, and L. S. Shvindlerman, Acta Mater. 49, 673 (2001).
V. G. Sursaeva, G. Gottstein, and L. S. Shvindlerman, Scr. Mater. 116, 91 (2016).
Y. Huang and F. J. Humphreys, Acta Mater. 47, 2259 (1999).
Y. Huang and F. J. Humphreys, Mater. Chem. Phys. 132, 166 (2012).
G. M. Poletaev, I. V. Zorya, M. D. Starostenkov, R. Yu. Rakitin, and P. Ya. Tabakov, J. Exp. Theor. Phys. 128, 88 (2019).
G. M. Poletaev, I. V. Zorya, R. Yu. Rakitin, D. V. Kokhanenko, and M. D. Starostenkov, Izv. Vyssh. Uchebn. Zaved., Chern. Metall. 61, 974 (2018).
F. Cleri and V. Rosato, Phys. Rev. B 48, 22 (1993).
G. M. Poletaev and I. V. Zorya, J. Exp. Theor. Phys. 131, 432 (2020).
G. M. Poletaev, D. V. Novoselova, I. V. Zorya, and M. D. Starostenkov, Phys. Solid State 60, 847 (2018).
M. Upmanyu, D. J. Srolovitz, L. S. Shvindlerman, and G. Gottstein, Acta Mater. 50, 1405 (2002).
H. Zhang, M. Upmanyu, and D. J. Srolovitz, Acta Mater. 53, 79 (2005).
N. Bernstein, Acta Mater. 56, 1106 (2008).
Z. T. Trautt and Y. Mishin, Acta Mater. 60, 2407 (2012).
D. A. Molodov, B. B. Straumal, and L. S. Shvindlerman, Scr. Mater. 18, 207 (1984).
M. A. Fortes and A. M. Deus, Mater. Sci. Forum 455–456, 648 (2004).
O. B. Perevalova, E. V. Konovalova, N. A. Koneva, and E. V. Kozlov, J. Mater. Sci. Technol. 19, 593 (2003).
Author information
Authors and Affiliations
Corresponding author
Ethics declarations
The authors declare that they have no conflicts of interest.
Additional information
Translated by Yu. Ryzhkov
Rights and permissions
About this article
Cite this article
Poletaev, G.M., Rakitin, R.Y. Molecular Dynamics Simulation of the Influence of a Vacancy Concentration on the Tilt Boundary Migration Velocity in Nickel. Phys. Solid State 63, 748–753 (2021). https://doi.org/10.1134/S1063783421050140
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S1063783421050140