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The melting curve of CaSiO3 perovskite under lower mantle pressures
Authors:Zi-Jiang Liu  Jun Yan  Su-Qing Duan  Xiao-Wei Sun  Cai-Rong Zhang  Yuan Guo
Affiliation:1. School of Earth Sciences, University of Bristol, Queen''s Road, Bristol BS8 1RJ, United Kingdom;2. Department of Earth Sciences, University College London, Gower Street, London WC1E 6BT, United Kingdom;3. DIAMOND Light Source Ltd, Chilton, Didcot OX11 0QX, Oxfordshire, United Kingdom
Abstract:The high pressure melting curve of CaSiO3 perovskite is simulated by using the constant temperature and pressure molecular dynamics method combined with effective pair potentials for the first time. The simulated results for the partial radial distribution function all compare well with experiment. The calculated equation of state is very successful in accurately reproducing the recent experimental data over a wide pressure range. The predicted high pressure melting curve is in good agreement with the experimental ones, and the melting curve up to the core–mantle boundary pressure, being very steep at lower pressures, rapidly flattens on increasing pressure. The present results also suggest the validity of the experimental data of Zerr and Boehler.
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