Atomistic simulation of calcite surfaces and the influence of growth additives on their morphology

Atomistic simulation techniques based on the Born model of solids have been used to calculate the surface energies and to predict the equilibrium morphology of calcite crystals. The influence of Mg 2+, Li + and HPO 2- 4 ion additives on the surface stability is reported. These results can be used to...

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Bibliographic Details
Published in:Journal of crystal growth 1993, Vol.131 (3), p.533-545
Main Authors: Titiloye, J.O., Parker, S.C., Mann, S.
Format: Article
Language:English
Subjects:
Condensed matter: structure, mechanical and thermal properties
Cross-disciplinary physics: materials science
rheology
Exact sciences and technology
Materials science
Methods of crystal growth
physics of crystal growth
Physics
Solid surfaces and solid-solid interfaces
Surface energy
thermodynamic properties
Surfaces and interfaces
thin films and whiskers (structure and nonelectronic properties)
Theory and models of crystal growth
physics of crystal growth, crystal morphology and orientation
Theory of crystal structure, crystal symmetry
calculations and modeling
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Summary:Atomistic simulation techniques based on the Born model of solids have been used to calculate the surface energies and to predict the equilibrium morphology of calcite crystals. The influence of Mg 2+, Li + and HPO 2- 4 ion additives on the surface stability is reported. These results can be used to infer the effect on nucleation, and on the growth morphologies of calcite.
ISSN:0022-0248
1873-5002
DOI:10.1016/0022-0248(93)90205-B