Hostname: page-component-745bb68f8f-v2bm5 Total loading time: 0 Render date: 2025-02-04T14:49:42.737Z Has data issue: false hasContentIssue false
  • English
  • Français

Kinetic Monte Carlo Simulations of Dislocation Etch-Pits

Published online by Cambridge University Press:  17 March 2011

Daniel N. Bentz  and
Kenneth A. Jackson
Daniel N. Bentz
Affiliation:
Department of Materials Science and Engineering, University of Arizona 4715 E Fort Lowell Road Tucson, AZ 85712
Kenneth A. Jackson
Affiliation:
Department of Materials Science and Engineering, University of Arizona 4715 E Fort Lowell Road Tucson, AZ 85712
Get access

Abstract

Chemical mechanical polishing and stress corrosion cracking result from chemical attack at stressed regions. To better understand the combined effects of chemical attack and stress, a kinetic Monte Carlo (kMC) study of the formation of dislocation etch pits is being pursued. In the simulations, atoms from a diamond cubic lattice are irreversibly removed with a probability which depends on an atom's number of nearrest neighbors as well the local stress developed from its physical location with respect to a dislocation in the lattice. In accordance with experimental observations, both faceted and non-faceted dislocation etch-pits have been observed. Simulations have been performed for various values of the strength to the etchant attack and the magnitude of the stress produced by the dislocation.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 697: Symposium P – Surface Engineering 2001--Fundamentals and Applications , January 2001 , P2.5
Copyright
Copyright © Materials Research Society 2002

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

[1] Dash, W. C., Copper precipitation on dislocations in silicon, Journal of Applied Physics 27 (10) (1956) 1193–1415.Google Scholar
[2] Lovell, L. C., Vogel, F. L., Wernick, J. H., Etching reagents for dislocations in metal crystals, Metal Progress 75 (5) (1958) 96.Google Scholar
[3] Jackson, K. A., Solidification structures of pure metals, in: Bever, M. B. (Ed.), Metallography, Structures and Phase Diagrams, 8th Edition, Vol. 8 of Metals Handbook, American Society for Metals, Metals Park, Ohio, 1973, pp. 147–149.Google Scholar
[4] Woodraska, D. L., Jaszczak, J. A., Roughening and preroughening of diamond-cubic 111 surfaces, Physical Review Letters 78 (2) (1997) 258–61.Google Scholar
[5] Woodraska, D. L., Jaszczak, J. A., A monte carlo simulation method for 111 surfaces of silicon and other diamond-cubic materials, Surface Science 374 (1-3) (1997) 319–32.Google Scholar
[6] Cuppen, H. M., Veenendaal, E. van, Suchtelen, J. van, Enckevort, W. J. P. van, Vlieg, E., A monte carlo study of dislocation growth and etching of crystals, Journal of Crystal Growth 219 (1-2) (2000) 165–75.Google Scholar
[7] Nabarro, F. R. N., Theory of Crystal Dislocations, International series of monographs on physics., Clarendon P., Oxford, 1967.Google Scholar
[8] Bortz, A. B., Lebowitz, J. L., Kalos, M. H., A new algorithm for monte carlo simulation of ising spin systems, Journal of Computational Physics 17 (1) (1975) 10–18.Google Scholar
[9] Blue, J. L., Beichl, I., Sullivan, F., Faster monte carlo simulations, Physical Review E (Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics) 51 (2) (1995) R867–8.Google Scholar
[10] Matsumoto, M., Nishimura, T., Mersenne twister: a 623-dimensionally equidistributed uniform pseudo-random number generator, ACM Transactions on Modeling and Computer Simulation 8 (1) (1998) 3–30.Google Scholar
[11] Merritt, E. A., Bacon, D. J., Raster3d: Photorealistic molecular graphics, in: Macromolecular Crystallography, Pt B, Vol. 277 of Methods in Enzymology, 1997, pp. 505–524.Google Scholar