Thermodynamics of pyrope-majorite, Mg3Al2Si3O12-Mg4Si4O12, solid solution from atomistic model calculations

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Thermodynamics of pyrope-majorite, Mg3Al2Si3O12-Mg4Si4O12, solid solution from atomistic model calculations

Static lattice energy calculations, based on empirical pair potentials have been performed for a large set of different structures with compositions between pyrope and majorite, and with different states of order of octahedral cations. The energies have been cluster expanded using pair and quaternar...

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Bibliographic Details
Main Authors:	Gale, Julian, Vinograd, V., Winkler, B., Putnis, A., Kroll, H., Milman, V., Fabrichnayak, O.
Format:	Journal Article
Published:	Taylor & Francis Ltd 2006
Subjects:	Monte Carlo simulations Pyrope majorite s.s Activity composition relations Cubic/tetragonal transition
Online Access:	http://journalsonline.tandf.co.uk/openurl.asp?genre=article&id=doi:10.1080/08927020500501599 http://hdl.handle.net/20.500.11937/28891

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