An MD-simulation of the process of grain-boundary (GB) melting in aluminum is performed. General- and special-type GBs with the [100]-, [110]- and [111]-misorientations are investigated. It is shown that most GBs have lower melting temperatures than that of the single crystal. Grain-boundary melting occurs within the temperature interval from 0.75Тmelt to 0.95Тmelt. Low-angle boundaries and a special Σ11(113) boundary are found to be high-melting.
Similar content being viewed by others
References
A. N. Orlov, V. N. Perevezentsev, and V. V. Rybin, Grain Boundaries in Metals [in Russian], Metallurgiya, Moscow (1980).
O. A. Kaibyshev and R. Z. Valiev, Grain Boundaries and Properties of Metals [in Russian], Metallurgiya, Moscow (1987).
B. S. Bokshtein, Ch. V. Kopetskii, and L. S Shvindlerman, Thermodynamics and Kinetics of Grain Boundaries [in Russian], Metallurgiya, Moscow (1986).
V. N. Chuvildeev, Nonequilibrium Grain Boundaries in Metals. Theory and Application [in Russian], Fizmatlit, Moscow (2004).
V. K. Gupta, D. H. Yoon, H. M. Meyer, and J. Luo, Acta Mater., 55, 3131–3142 (2007).
S. R. Phillpot, S. Yip, and D. Wolf, Comput. Phys., 3, 20–31 (1989).
S. V. Divinski, M. Lohmann, Chr. Herzig, et al., Phys. Rev. B, 71, No. 10, 1–8 (2005).
J. Mellenthin, M. Plapp, and A. Karma, Phys. Rev. B, 78, 184110 (2008).
B. F. Demyanov, A. V. Weckman, and M. D. Starostenkov, Russ. Phys. J., 44, No. 2, 145–150 (2001).
A. V. Weckman, A. S. Dragunov, B. F. Dem’yanov, N.V. Adarich, Russ. Phys. J., 55, No. 7, 799–806 (2012).
M. A. Tschopp and D. L. Mcdowell, Phil. Mag., 87, No. 25, 3871–3892 (2007).
S. M. Stishov, Usp. Fiz. Nauk, 114, Issue 1, 3–40 (1974).
I. V. Zolotukhin, Physical Properties of Amorphous Metallic Materials [in Russian], Metallurgiya, Moscow (1986).
P. Debye, Usp. Fiz. Nauk, XIV, Issue 7, 846–856 (1934).
J. R. Wilson, The structure of liquid metals and alloys, Metal. Rev., 10, No. 1, 381–590 (1965).
J. Frenkel, Kinetic Theory of Liquids, Oxford University Press (1946).
M. D. Starostenkov, B. F. Demyanov, S. L. Kustov, et al., Bull. AltSTU, No. 1, 67–82 (1999).
E. V. Kozlov, L. E. Popov, and M. D. Starostenkov, Sov. Phys. J., 15, No. 3, 395–396 (1972).
A. R. Ubellode, Melting and Crystal Structure, Clarendon, Oxford (1965).
P. P. Arsentiev and L. A. Koledov, Metallic Melts and their Properties [in Russian], Metallurgiya, Moscow (1976).
V. Vitek, Scripta Met., 9, 611–615 (1975).
P. S. Ho, T. Kwok, T. Nguyen, et al., Scripta Met., 19, 993–998 (1985).
J. Lu and J. A. Szpunar, Interfac. Sci., 3, 143–150 (1995).
A. Adland, A. Karma, R. Spatschek, et al., Phys. Rev. B, 87, 024110 (2013).
Author information
Authors and Affiliations
Corresponding author
Additional information
Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 12, pp. 58–65, December, 2015.
Rights and permissions
About this article
Cite this article
Weckman, A.V., Demyanov, B.F. & Dragunov, A.S. Simulation of the Process of Grain-Boundary Melting in Aluminum. Russ Phys J 58, 1732–1740 (2016). https://doi.org/10.1007/s11182-016-0709-8
Received:
Revised:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11182-016-0709-8