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Modeling Earth materials from crustal to lower mantle conditions: A transferable set of interaction potentials for the CMAS system

Abstract:

A fully flexible ionic interaction model (Aspherical Ion Model, AIM) is presented and applied to various relevant minerals and melts of the Ca-Mg-Al-Si-O (CMAS) system. The model reproduces accurately lattice parameters and thermoelastic properties of minerals in a wide range of compositions. Furthermore, its transferability range extends from the pressure and temperature conditions of the Earth's crust to the lower mantle. Thus, the AIM extends greatly the applicability of classical models i...

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Publication status:
Published

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Publisher copy:
10.1016/j.pepi.2007.04.002

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Institution:
University of Oxford
Department:
Oxford, MPLS, Materials
Journal:
PHYSICS OF THE EARTH AND PLANETARY INTERIORS
Volume:
162
Issue:
1-2
Pages:
129-139
Publication date:
2007-06-15
DOI:
ISSN:
0031-9201
URN:
uuid:b3bdf417-dc5e-4f74-adf4-104cda75f39f
Source identifiers:
416071
Local pid:
pubs:416071

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