Wright, K and Price, GD (1989) Computer simulations of iron in magnesium silicate perovskite. Geophysical Research Letters , 16 (12) 1399 - 1402. 10.1029/GL016i012p01399.
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Abstract
We use atomistic computer simulation techniques to investigate the site partitioning of iron in (Mg,Fe)SiO_{3} perovskites. Our calculations predict that the most energetically favourable reaction for iron substitution will be a direct exchange of Fe^{2+} for Mg^{2+}. Substitution of Fe into the octahedral site and Si into the 8–12 fold coordinated site, as proposed by Jackson et al. [1987], is predicted to be extremely unlikely.
| Type: | Article |
|---|---|
| Title: | Computer simulations of iron in magnesium silicate perovskite |
| Open access status: | An open access version is available from UCL Discovery |
| DOI: | 10.1029/GL016i012p01399 |
| Publisher version: | http://dx.doi.org/10.1029/GL016i012p01399 |
| Language: | English |
| Additional information: | Copyright 1989 by the American Geophysical Union |
| UCL classification: | UCL > VP Research |
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