Ab initio study of single-crystalline and polycrystalline elastic properties of 
Mg-substituted calcite crystals

Zhu, Li-Fang; Friák, Martin; Lymperakis, Liverios; Titrian, Hajjir; Aydin, Ugur; Janus, Anna Maria; Fabritius, Helge-Otto; Ziegler, Andreas Siegfried; Nikolov, Svetoslav D.; Hemzalová, Pavlína; Raabe, Dierk; Neugebauer, Jörg

doi:10.1016/j.jmbbm.2013.01.030

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Ab initio study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals

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Zhu, Li-Fang
Ab Initio Thermodynamics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125144

Friák, Martin
Ab Initio Thermodynamics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125262

Lymperakis, Liverios
Microstructure, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125430

Titrian, Hajjir
Ab Initio Thermodynamics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;
University Duisburg-Essen, Germany;

/persons/resource/persons125033

Aydin, Ugur
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125198

Janus, Anna Maria
Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125135

Fabritius, Helge-Otto
Biological Composites, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons138653

Hemzalová, Pavlína
Masaryk University, Kotlářská 2, Brno 611 37, Czech Republic;
Ab Initio Thermodynamics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125330

Raabe, Dierk
Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

/persons/resource/persons125293

Neugebauer, Jörg
Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Citation

Zhu, L.-F., Friák, M., Lymperakis, L., Titrian, H., Aydin, U., Janus, A. M., et al. (2013). Ab initio study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals. Journal of the Mechanical Behavior of Biomedical Materials, 20, 296-304. doi:10.1016/j.jmbbm.2013.01.030.

Cite as: https://hdl.handle.net/11858/00-001M-0000-0019-2450-0

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