Atomistic models of carbonate minerals: bulk and surface structures, defects, and diffusion

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Atomistic models of carbonate minerals: bulk and surface structures, defects, and diffusion

We review the use of interatomic potentials to describe the bulk and surface behavior of carbonate materials. Interatomic pair potentials, describing the Ca2+-O interactions and the C-O bonding of the CO22 anion group, are used to evaluate the lattice, elastic, dielectric, and vibrational data for c...

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Bibliographic Details
Main Authors:	Cygan, R., Wright, Kathleen, Fisler, D., Gale, Julian, Slater, B.
Format:	Journal Article
Published:	Taylor & Francis Ltd 2002
Subjects:	Defect Carbonate Shell model Surface Calcite Diffusion
Online Access:	http://hdl.handle.net/20.500.11937/19250

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