Please use this identifier to cite or link to this item:
|Title:||A Monte Carlo simulation of B-site order-disorder transformation in Pb(Sc1/2Ta1/2)O3 triggered by mechanical activation||Authors:||Gao, X.S.
|Issue Date:||23-Sep-2002||Citation:||Gao, X.S., Lim, J., Xue, J.M., Wang, J.-S., Liu, J.-M., Wang, J. (2002-09-23). A Monte Carlo simulation of B-site order-disorder transformation in Pb(Sc1/2Ta1/2)O3 triggered by mechanical activation. Journal of Physics Condensed Matter 14 (37) : 8639-8653. ScholarBank@NUS Repository. https://doi.org/10.1088/0953-8984/14/37/301||Abstract:||Order-disorder transformation triggered by mechanical activation in a perovskite structure was observed in Pb(Sc1/2Ta1/2)O3; it is simulated using a Monte Carlo algorithm, based on the competition between mechanical activation leading to disordering and the thermal diffusion recovering the ordering. The time evolution of the long-range order (LRO) from an initial ordered state shows a steady decrease at the initial stage and then becomes more or less stabilized over a prolonged period; while from the disordered initial state, LRO increases first and then stabilizes at a similar end value. Thermal diffusion is the dominant process at relatively high temperatures, leading to the disorder-to-order transformation. The effect of mechanical activation becomes significant and results in order-to-disorder transformation at relatively low temperatures. Both the mechanical activation intensity and the vacancy migration energy exert an impact on the degree of ordering and the order-disorder transformation temperature at low temperatures. Snapshot images of the simulation demonstrate the competition between thermal diffusion and mechanical activation, which refines the domain size.||Source Title:||Journal of Physics Condensed Matter||URI:||http://scholarbank.nus.edu.sg/handle/10635/104716||ISSN:||09538984||DOI:||10.1088/0953-8984/14/37/301|
|Appears in Collections:||Staff Publications|
Show full item record
Files in This Item:
There are no files associated with this item.
checked on Mar 5, 2021
WEB OF SCIENCETM
checked on Feb 25, 2021
checked on Feb 28, 2021
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.