Please use this identifier to cite or link to this item: https://doi.org/10.1088/0953-8984/14/37/301
DC FieldValue
dc.titleA Monte Carlo simulation of B-site order-disorder transformation in Pb(Sc1/2Ta1/2)O3 triggered by mechanical activation
dc.contributor.authorGao, X.S.
dc.contributor.authorLim, J.
dc.contributor.authorXue, J.M.
dc.contributor.authorWang, J.-S.
dc.contributor.authorLiu, J.-M.
dc.contributor.authorWang, J.
dc.date.accessioned2014-10-28T03:10:57Z
dc.date.available2014-10-28T03:10:57Z
dc.date.issued2002-09-23
dc.identifier.citationGao, 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
dc.identifier.issn09538984
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/104716
dc.description.abstractOrder-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.
dc.sourceScopus
dc.typeArticle
dc.contributor.departmentMATERIALS SCIENCE
dc.contributor.departmentCOMPUTATIONAL SCIENCE
dc.description.doi10.1088/0953-8984/14/37/301
dc.description.sourcetitleJournal of Physics Condensed Matter
dc.description.volume14
dc.description.issue37
dc.description.page8639-8653
dc.description.codenJCOME
dc.identifier.isiut000178555400004
Appears in Collections:Staff Publications

Show simple item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

3
checked on Nov 7, 2019

WEB OF SCIENCETM
Citations

3
checked on Nov 7, 2019

Page view(s)

175
checked on Nov 9, 2019

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.