Atomistic simulations of trace element incorporation into the large site of MgSiO3 and CaSiO3 perovskites
We have used computer simulation techniques to study the mechanisms of trace element incorporation into the large sites of MgSiO3 and CaSiO3 perovskites on the atomistic level. Both relaxation and solution energies corresponding to the incorporation of isovalent and heterovalent defects can be fitte...
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| Format: | Conference item |
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2003
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