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...
| Main Authors: | , , , , |
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| Format: | Journal Article |
| Published: |
Taylor & Francis Ltd
2002
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| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/19250 |