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...
| Main Authors: | , , , , , , |
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| Format: | Journal Article |
| Published: |
Taylor & Francis Ltd
2006
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| Subjects: | |
| Online Access: | http://journalsonline.tandf.co.uk/openurl.asp?genre=article&id=doi:10.1080/08927020500501599 http://hdl.handle.net/20.500.11937/28891 |