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Self-diffusion along twist grain boundaries in Cu

Published online by Cambridge University Press:  31 January 2011

Miki Nomura  and
James B. Adams
Miki Nomura
Affiliation:
Department of Materials Science and Engineering, University of Illinois, Urbana, Illinois 61801
James B. Adams
Affiliation:
Department of Materials Science and Engineering, University of Illinois, Urbana, Illinois 61801
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Abstract

In a previous paper we studied vacancy diffusion in two high-angle twist grain boundaries in Cu, using the EAM. In this paper, we discuss vacancy diffusion along four additional twist grain boundaries, from 8.8–43.6°. Vacancy formation energies in all the possible sites were calculated (0.14–1.42 eV) and found to be directly related to the degree of coincidence with the neighboring crystal planes. The optimal migration paths were found to coincide with the screw dislocations which comprise the boundary. Vacancy migration energies were found to be low (0.02–0.52 eV). The activation energies for self-diffusion at the boundaries were found to be less than half of the bulk value, in general agreement with experiment. Calculated diffusion rates, δD, for medium-high angle twist grain boundaries were in reasonable agreement with experimental data for polycrystalline material. Diffusion rates were found to decrease with increasing twist angle, in contrast with two sets of conflicting experimental data.

Type
Articles
Information
Journal of Materials Research , Volume 7 , Issue 12 , December 1992 , pp. 3202 - 3212
Copyright
Copyright © Materials Research Society 1992

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References

REFERENCES

1Kaur, I. and Gust, W., Fundamentals of Grain and Interphase Boundary Diffusion, 2nd ed. (Ziegler Press, Stuttgart, 1989), p. 17.Google Scholar
2Balluffi, R.W., Metall. Trans. A 13A, 2069 (1982).Google Scholar
3Achter, M.R. and Smoluchowski, R., J. Appl. Phys. 22, 1260 (1951).CrossRefGoogle Scholar
4Chatlerjee, A. and Fabian, D. J., Acta Metall. 17, 1141 (1969).Google Scholar
5Hoffman, R.E. and Turnbull, D., J. Appl. Phys. 22, 634 (1951).Google Scholar
6Gertsriken, S.D. and Revo, A.L., Fiz. Met. Metalloved. 4, 578 (1960).Google Scholar
7Horvath, J., Birringer, R., and Gleiter, H., Solid State Commun. 62, 319 (1987).CrossRefGoogle Scholar
8Gust, W., Mayer, S., Bogel, A., and Predel, B., J. de Physique C–4, 537 (1985).Google Scholar
9Turnbull, D. and Hoffman, R. E., Acta Metall. 2, 419 (1954).CrossRefGoogle Scholar
10Atkinson, A., J. Physique C4 46, 379 (1985).Google Scholar
11Sommer, J., Herzig, Chr., Mayer, S., and Gust, W., Defect and Diffusion Forum 66–69, 843 (1989).Google Scholar
12Canon, R.F. and Stark, J.P., J. Appl. Phys. 40, 4366 (1969).Google Scholar
13Love, G. and Shewmon, P. G., Acta Metall. 2, 899 (1963).Google Scholar
14Biscondi, M., in Physical Chemistry of the Solid State: Applications to Metals and Their Compounds, edited by Lacombe, P. (Elsevier, Amsterdam, 1984), p. 225.Google Scholar
15Taylor, M.S., Majid, I., Bristowe, P.D., and Balluffi, R.W., Phys. Rev. B 40, 2772 (1989).Google Scholar
16Brokman, A., Bristowe, P.D., and Balluffi, R.W., J. Appl. Phys. 52, 6116 (1981).Google Scholar
17Balluffi, R. W., Kwok, T., Bristowe, P. D., Brokman, A., Ho, P. S., and Yip, S., Scripta Metall. 15, 951 (1981).CrossRefGoogle Scholar
18Kwok, T., Ho, P.S., and Yip, S., Phys. Rev. B 29, 5354, 5363 (1984).Google Scholar
19Plimpton, S. J. and Wolf, E.D., Phys. Rev. B 41, 2712 (1990).Google Scholar
20Majid, I., Bristowe, P.D., and Balluffi, R.W., Phys. Rev. B 40, 2779 (1989).Google Scholar
21Najafabadi, R., Srolovitz, D.J., and LeSar, R., J. Mater. Res. 5, 2663 (1990).CrossRefGoogle Scholar
22Nomura, M., Lee, S. -Y., and Adams, J. B., J. Mater. Res. 6, 1 (1991).CrossRefGoogle Scholar
23Adams, J. B., Foiles, S. M., and Wolfer, W. G., J. Mater. Res. 4, 102 (1989).CrossRefGoogle Scholar
24Ma, Q., Liu, C., Balluffi, R.W., and Adams, J.B., submitted to Acta Metall. (1992).Google Scholar
25Daw, M. S. and Baskes, M. I., Phys. Rev. B 29, 6443 (1984).Google Scholar
26Foiles, S. M., Baskes, M. I., and Daw, M. S., Phys. Rev. B 33, 7983 (1986). Errata, Phys. Rev. B 33, 7983 (1986).Google Scholar
27Wolf, D., Lutsko, J., and Kluge, M., “Atomistic Simulation of Materials: Beyond Pair Potentials”, Symp. Proc. (Plenum Press, New York, 1989), pp. 245–263.CrossRefGoogle Scholar
28Amelinckx, S. and Dekeyser, W., Solid State Phys. 8, 332 (1959). 29. P. Shewmon, in Diffusion in Solids (TMS 1989).Google Scholar
30Ma, Qing and Balluffi, R.W., “Random walk model for self-diffusivities and correlation factors in periodic grain boundaries,” to be published (1992).Google Scholar
31Zener, C., J. Appl. Phys. 22, 372 (1951).CrossRefGoogle Scholar
32Maier, K., Phys. Status Solidi (a) 44, 567 (1977).CrossRefGoogle Scholar