Atomistic simulation of trace element incorporation into garnets - comparison with experimental garnet-melt partitioning data

We have studied the energetics of trace element incorporation into pure almandine (Alm), grossular (Gros), pyrope (Py) and spessartine (Spes) garnets (X3Al2Si3O12, with X = Fe, Ca, Mg, Mn respectively), by means of computer simulations of perfect and defective lattices in the static limit. The simul...

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Bibliographic Details
Main Authors: van Westrenen, W, Allan, N, Blundy, J, Purton, J, Wood, B
Format: Journal article
Language:English
Published: 2000