Hostname: page-component-848d4c4894-pjpqr Total loading time: 0 Render date: 2024-07-02T06:39:32.455Z Has data issue: false hasContentIssue false
  • English
  • Français

Using Fluctuations To Locate The Surface Roughening Transition

Published online by Cambridge University Press:  15 February 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

An analysis of the fluctuations of a {100} FCC interface has been used to locate the surface roughening transition in kinetic Monte Carlo simulations. These simulations were conducted using a spin 1/2 Ising model treatment of the solid-liquid interface. A temperature gradient was imposed on the simulation cell providing a restoring force to the interface. Fluctuations in the number of solid atoms in the system were measured using time correlations. The fluctuation dissipation theorem was employed to relate the characteristic times retrieved from the time correlation to the kinetic coefficients of the system. A dramatic change was found in these characteristic times, which locates the surface roughening transition.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 779: Symposium W – Multiscale Phenomena in Materials - Experiments and Modeling Related to Mechanical Behavior , 2003 , W7.4/U8.4
Copyright
Copyright © Materials Research Society 2003

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] Shugard, W. J., Weeks, J. D., Gilmer, G. H., Phys. Rev. Lett. 41 (20) (1978) 1399–1402.Google Scholar
[2] Chui, S., Weeks, J., Phys. Rev. Lett. 40 (12) (1978) 733–736.Google Scholar
[3] Kosterlitz, J. M., Thouless, D. J., J. Phys. C, 6 (1973) 1181–1203.Google Scholar
[4] Leamy, H. J., Jackson, K. A., J. Appl. Phys, 42 (5) (1971) 2121–2127.Google Scholar
[5] Onsager, L., Phys. Rev. 38 (1931) 2265–2279.Google Scholar
[6] Chandler, D., Introduction to Modern Statistical Mechanics, Oxford University Press, New York, 1987.Google Scholar
[7] Briels, W. J., Tepper, H. L., Phys. Rev. Let. 79 (25) (1997) 5074–5077.Google Scholar
[8] Bentz, D. N., The effects of surface roughness and stress on lattice gas models using kinetic monte carlo modeling, Ph.D. thesis, Materials Science and Engineering, University of Arizona, to be published (May 2003).Google Scholar