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Using Fluctuations To Locate The Surface Roughening Transition

Published online by Cambridge University Press:  10 February 2011

Daniel N. Bentz  and
Kenneth A. Jackson
Daniel N. Bentz
Affiliation:
Department of Materials Science and Engineering, University of Arizona4715 E Fort Lowell Road Tucson, AZ 85712
Kenneth A. Jackson
Affiliation:
Department of Materials Science and Engineering, University of Arizona4715 E Fort Lowell Road Tucson, AZ 85712
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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 coeffcients 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 778: Symposium U – Mechanical Properties Derived from Nanostructuring Materials , 2003 , U8.4/W7.4
Copyright
Copyright © Materials Research Society 2002

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