Browse by author
Lookup NU author(s): Dr Ian Cooper,
Dr Terry Egerton,
Dr Fulian Qiu
Full text for this publication is not currently held within this repository. Alternative links are provided below where available.
This study simulates the combination of crystal growth by evaporation-condensation with the potential for a phase change once the crystals have reached a critical size. Crystal growth has been simulated as a two-dimensional Monte Carlo process in which the probability of accepting or rejecting an individual evaporation-condensation step is given by the Metropolis algorithm. Crystals, taken to be of the anatase form of TiO2, which have grown larger than a specified critical size may transform irreversibly to a second phase, taken to be rutile. The probability of conversion increases with increasing crystal size. For each critical size there exists a limited range over which the transformation kinetics follow the familiar relationship alpha = 1 - exp(-kt(n)) (where alpha is the fractional conversion at time, t). The dependence of the mean size of the two polymorphs and of the rutile size-spread (rms) on critical size have been investigated. The most significant aspect. of the plots of the normalized size-spread, rms/mean-size, is its gradual increase as the rutile fraction increases from 0.75 to 0.98. (C) 2008 Elsevier Ltd. All rights reserved.
Author(s): Cooper IL, Egerton TA, Qiu FL
Publication type: Article
Publication status: Published
Journal: Journal of the European Ceramic Society
ISSN (print): 0955-2219
ISSN (electronic): 1873-619X
Altmetrics provided by Altmetric