Ab initio study of thermodynamic, structural, and elastic properties of 
Mg-substituted crystalline calcite

Elstnerová, P.; Friák, M.; Fabritius, H.; Lymperakis, L.; Hickel, T.; Petrov, M.; Nikolov, S.; Raabe, D.; Ziegler, A.; Hild, S.; Neugebauer, J.

doi:10.1016/j.actbio.2010.07.015

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Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite

Elstnerová, P., Friák, M., Fabritius, H., Lymperakis, L., Hickel, T., Petrov, M., et al. (2010). Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. Acta Biomaterialia, 6(12), 4506-4512. doi:10.1016/j.actbio.2010.07.015.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0019-3559-C Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0019-355B-8

Genre: Journal Article

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Creators:
Elstnerová, P.¹, Author
Friák, M.¹, Author
Fabritius, H.², Author
Lymperakis, L.³, Author
Hickel, T.⁴, Author
Petrov, M.¹, Author
Nikolov, S.⁵, Author
Raabe, D.⁶, Author
Ziegler, A., Author
Hild, S.⁵, Author
Neugebauer, J.⁷, Author

Affiliations:
1Ab Initio Thermodynamics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863338
2Biological Composites, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863385
3Microstructure, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863344
4Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341
5External Organizations, ou_persistent22
6Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863381
7Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337

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Language(s): eng - English

Dates: Date issued: 2010-12

Publication Status: Issued

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Identifiers: eDoc: 499553
DOI: 10.1016/j.actbio.2010.07.015

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Title: Acta Biomaterialia

Alternative Title : Acta Biomater.

Source Genre: Journal

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Pages: - Volume / Issue: 6 (12) Sequence Number: - Start / End Page: 4506 - 4512 Identifier: -