Atomistic simulation of Mg2SiO4 and Mg2GeO4 spinels: a new model

We have developed a new interatomic potential model for the simulation of ringwoodite, the high-pressure phase of Mg2SiO4, and its low-pressure analogue, Mg2GeO4 spinel. The main novelty is the addition of a breathing shell model that enables us to accurately describe the structural and elastic par...

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Bibliographic Details
Main Authors: Wright, Kathleen, Gale, Julian, Blanchard, M.
Format: Journal Article
Published: Springer-Verlag GmbH 2005
Subjects:
Online Access:http://hdl.handle.net/20.500.11937/20633