Hostname: page-component-6bf8c574d5-7jkgd Total loading time: 0 Render date: 2025-02-15T10:26:39.187Z Has data issue: false hasContentIssue false
  • English
  • Français

Dislocation Nucleation and Propagation During Deposition of Cubic Metal Thin Films

Published online by Cambridge University Press:  21 March 2011

W. C. Liu ,
Y. X. Wang ,
C. H. Woo  and
Hanchen Huang
W. C. Liu
Affiliation:
Department of Mechanical Engineering, The Hong Kong Polytechnic University, Hong Kong
Y. X. Wang
Affiliation:
Department of Mechanical Engineering, The Hong Kong Polytechnic University, Hong Kong
C. H. Woo
Affiliation:
Department of Mechanical Engineering, The Hong Kong Polytechnic University, Hong Kong
Hanchen Huang
Affiliation:
Department of Mechanical Engineering, The Hong Kong Polytechnic University, Hong Kong
Get access

Abstract

In this paper we present three-dimensional molecular dynamics simulations of dislocation nucleation and propagation during thin film deposition. Aiming to identify mechanisms of dislocation nucleation in polycrystalline thin films, we choose the film material to be the same as the substrate – which is stressed. Tungsten and aluminum are taken as representatives of BCC and FCC metals, respectively, in the molecular dynamics simulations. Our studies show that both glissile and sessile dislocations are nucleated during the deposition, and surface steps are preferential nucleation sites of dislocations. Further, the results indicate that dislocations nucleated on slip systems with large Schmid factors more likely survive and propagate into the film. When a glissile dislocation is nucleated, it propagates much faster horizontally than vertically into the film. The mechanisms and criteria of dislocation nucleation are essential to the implementation of the atomistic simulator ADEPT.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 677: Symposium AA – Advances in Materials Theory and Modeling–Bridging Over Multiple-Length and Time Scales , 2001 , AA7.32
Copyright
Copyright © Materials Research Society 2001

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

1. Burton, W., Cabrera, N., and Frank, F., Trans. Roy. Soc. London A243, 299 (1951).Google Scholar
2. Huang, H., Gilmer, G. H. and Rubia, T. Diaz de la, J. Appl. Phys. 84, 3636 (1998).Google Scholar
3. Gilmer, G. H., Huang, H., Rubia, T. Diaz de la, Torre, J. D. and Baumann, F., Thin Solid Films 365, 189 (1999).Google Scholar
4. Huang, H. and Gilmer, G. H., J. Computer Aided Materials Design 6, 117 (1999).Google Scholar
5. Gilmer, G. H., Huang, H., Rubia, T. Diaz de la and Roland, C., Comp. Mater. Sci. 12, 354 (1998).Google Scholar
6. Huang, H. and Gilmer, G. H., J. Computer Aided Materials Design 7 (2001) in press.Google Scholar
7. Baumann, F. H., Chopp, D. L., Rubia, T. Diaz de la, Gilmer, G. H., Greene, J. E., Huang, H., Kodambaka, S., O'Sullivan, P., and. Petrov, I., MRS Bulletin 26, 182 (2001).Google Scholar
8. Frank, F. C. and Merwe, J. H. van der, Proc. Roy. Soc. A198, 205 (1949).Google Scholar
9. Dong, L., Schnitker, J., Smith, R. W. and Srolovitz, D. J., J. Appl. Phys. 83, 217 (1998).Google Scholar
10. Liu, W. C., Shi, S. Q., Woo, C. H. and Huang, Hanchen, Comp. Mater. Sci. (2001) accepted.Google Scholar
11. Liu, W. C., Shi, S. Q., Woo, C. H., and Huang, Hanchen, Computer Modeling in Engineering & Sciences (2001) submitted.Google Scholar
12. Ackland, G. J. and Thetford, R., Phil. Mag. A56, 15 (1987).Google Scholar
13. Ercolessi, F. and Adams, J., Europhys. Lett. 26, 583 (1994).Google Scholar
14. Nyberg, A. and Schlick, T., J. Chem. Phys. 95, 4989 (1991).Google Scholar
15. Parrinello, M. and Rahman, A., J. Appl. Phys. 52, 7182 (1981).Google Scholar
16. Huang, H., Caturla, M., Marques, L., and Rubia, T. Diaz de la, “Formulation of Atomic Level Stress Tensor in Silicon”, LLNL Report UCRL-ID-231669, 1998.Google Scholar
17. Bilby, B. A., Bullough, R. and Smith, E., Proc. Roy. Soc. A231, 263 (1955).Google Scholar