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

Friák, Martin; Zhu, Li-Fang; 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:10.4028/www.scientific.net/KEM.592-593.335

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

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).

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0024-A346-8 Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0026-A828-1

Genre: Conference Paper

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Creators:
Friák, Martin¹, Author
Zhu, Li-Fang¹, Author
Lymperakis, Liverios², Author
Titrian, Hajjir¹, Author
Aydin, Ugur³, Author
Janus, Anna Maria⁴, Author
Fabritius, Helge-Otto⁵, Author
Ziegler, Andreas Siegfried⁶, Author
Nikolov, Svetoslav D.⁷, Author
Hemzalová, Pavlína⁸, Author
Raabe, Dierk⁴, Author
Neugebauer, Jörg⁹, Author

Affiliations:
1Ab Initio Thermodynamics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863338
2Microstructure, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863344
3Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341
4Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863381
5Biological Composites, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863385
6Central Facility for Electron Microscopy, University of Ulm, Albert-Einstein-Allee 11, Ulm 89069, Germany, ou_persistent22
7Bulgarian Academy of Sciences, Institute of Mechanics, Acad. G. Bonchev Str. Bl. 4, 1113 Sofia, Bulgaria, ou_persistent22
8Masaryk University, Kotlářská 2, Brno 611 37, Czech Republic, ou_persistent22
9Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337

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Language(s): eng - English

Dates: Date issued: 2014

Publication Status: Issued

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Identifiers: DOI: 10.4028/www.scientific.net/KEM.592-593.335

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Title: 7th International Conference on Materials Structure and Micromechanics of Fracture (MSMF 7)

Place of Event: Brno, Czech Republic

Start-/End Date: 2013-07-01 - 2013-07-03

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Title: Key Engineering Materials

Source Genre: Proceedings

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Pages: - Volume / Issue: 592-593 Sequence Number: - Start / End Page: 335 - 341 Identifier: -