Abstract
The migration of a (100) θ = 43.6°(Σ29) twist grain boundary is observed during the course of a molecular-dynamics simulation. The atomic-level details of the migration are investigated by determining the time dependence of the planar structure factor, a function of the planar interparticle bond angles, and the location of the center of a mass of planes near the grain boundary. It is found that a migration step consists of local bond rearrangements which, when the simulation cell is made large enough, produce domain-like structures in the migrating plane. Although no overall sliding is observed during migration, a local sliding of the planes near the migrating grain boundary accompanies the migration process. It is suggested that a three-dimensional cloud of thermally produced Frenkel-like point defects near the boundary accompanies, and facilitates, its migration.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
N.F. Mott, Proc. Phys. Soc. 60, 391 (1948).
D. Tumbull, Trans. AIME 661, 191 (1950).
C.M.F. Rae and D.A. Smith, Philos. Mag. A 41, 477 (1980).
H. Gleiter, Acta Metall. 17, 565 (1969), ibid., p. 853.
B. B. Straumal, V. G. Sursayeva, and L. S. Shvindlerman, Phys. Met. Metall. 49, 102 (1980) [Fiz. metall. metalloved. 49, 1021 (1980)].
Ch. V. Kopetskii, V. G. Sursayeva, and L. S. Shvindlerman, Sov. Phys. Dokl. 23, 137 (1978) [Dokl. Akad. Nauk. SSSR 238, 842 (1978)].
S.E. Babcock and R.W. Balluffi, Acta Metall. 37, 2357 (1989).
S.E. Babcock and R.W. Balluffi, Acta Metall. 37, 2367 (1989).
G. H. Bishop, R. J. Harrison, T. Kwok, and S. Yip, J. Appl. Phys. 53, 5596 (1982).
R.J. Jhan and P.D. Bristowe, Scripta Metall. 24, 1313 (1990).
C. Counterman, L-Q. Chen, and G. Kalonji, J. Physique Colloque C5, C5-139 (1988).
J. F. Lutsko, D. Wolf, S. Yip, S. R. Phillpot, and T. Nguyen, Phys. Rev. B38, 11572 (1988).
J. F. Lutsko, D. Wolf, S. R. Phillpot, and S. Yip, Phys. Rev. B40, 2841 (1989).
J. M. Rickman, S. R. Phillpot, and D. Wolf, in Atomic Scale Calculations of Structure in Materials, edited by M.S. Daw and M.A. Schliiter (Mater. Res. Soc. Symp. Proc. 193, Pittsburgh, PA, 1990), p. 325.
M. Parrinello and A. Rahman, J. Appl. Phys. 52, 7182 (1981).
D. Wolf, J. F. Lutsko, and M. Kluge, in Atomistic Simulation of Materials—Beyond Pair Potentials, edited by V. Vitek and D. Srolovitz (Plenum Press, New York, 1989), p. 245.
M. S. Daw and M. I. Baskes, Phys. Rev. B29, 6443 (1986).
M. W. Finnis and J. E. Sinclair, Philos. Mag. A 50, 45 (1984).
See, for example, C. Goux, Can. Metal. Quarterly 13, 9 (1974).
G. Ciccotti, M. Guillope, and V. Pontikis, Phys. Rev. B27, 5576 (1983).
P.S. Ho, T. Kwok, T. Nguyen, C. Nitta, and S. Yip, Scripta Metall. 19, 993 (1985).
K. T. Aust, in Interfaces Conference, Melbourne, edited by R. C. Gifkins (Butterworth’s, London, 1969), p. 307.
A.H. King and D.A. Smith, Philos. Mag. A 42, 495 (1980).
K.W. Kehr, R. Kutner, and K. Binder, Phys. Rev. B23, 4931 (1981).
M.F. Ashby, Surf. Sci. 31, 498 (1972).
D. Wolf, S. R. Phillpot, J. A. Jaszczak, J. M. Rickman, and S. Yip (unpublished work).
J. F. Lutsko and D. Wolf, unpublished work; see also S.R. Phillpot, S. Yip, P.R. Okamoto, and D. Wolf, in Atomic-Level Properties of Interface Materials, edited by D. Wolf and S. Yip, to be published by Chapman and Hall, London.
D. Wolf, Acta Metall. 37, 1983 (1989); ibid., 2823 (1989).
J. D. Gunton and M. Droz, Introduction to the Theory of Metastable and Unstable States (Springer-Verlag, Berlin, 1983).
W. Burton, N. Cabrera, and F.C. Frank, Philos. Trans. R. Soc. London A 143, 199 (1951); J.D. Weeks, in Ordering in Strongly Fluctuating Condensed Matter Systems, edited by T. Rieste (Plenum Press, New York, 1980), p. 293.
C. Rottman, Phys. Rev. Lett. 57, 735 (1986).
V. Rosato, G. Ciccotti, and V. Pontikis, Phys. Rev. B33, 1860 (1986).
F. Abraham, Adv. Phys. 35, 1 (1986).
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Rickman, J.M., Phillpot, S.R., Wolf, D. et al. On the mechanism of grain-boundary migration in metals: A molecular dynamics study. Journal of Materials Research 6, 2291–2304 (1991). https://doi.org/10.1557/JMR.1991.2291
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1557/JMR.1991.2291