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Quantum-mechanical study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals

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

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

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

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

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

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

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

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

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

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Citation

Friák, M., Zhu, L.-F., Lymperakis, L., Titrian, H., Aydin, U., Janus, A. M., et al. (2014). Quantum-mechanical study of single-crystalline and polycrystalline elastic properties of Mg-substituted calcite crystals. In Key Engineering Materials (pp. 335-341).


Cite as: http://hdl.handle.net/11858/00-001M-0000-0024-A346-8
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