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

Friák, Martin; Elstnerová, Pavlína; Lymperakis, Liverios; Petrov, Michal; Hickel, Tilmann; Fabritius, Helge-Otto; Ziegler, Andreas Siegfried; Nikolov, Svetoslav; Hild, Sabine; Raabe, Dierk; Neugebauer, Jörg

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

Friák, M., Elstnerová, P., Lymperakis, L., Petrov, M., Hickel, T., Fabritius, H.-O., et al. (2011). Ab initio study of thermodynamic, structural, and elastic properties of Mg-substituted crystalline calcite. Talk presented at TMS 2011. San Diego, CA, USA. 2011-02-27 - 2010-03-03.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0027-BACB-F Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0027-BACC-D

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Creators:
Friák, Martin¹, Author
Elstnerová, Pavlína¹, Author
Lymperakis, Liverios², Author
Petrov, Michal¹, Author
Hickel, Tilmann³, Author
Fabritius, Helge-Otto⁴, Author
Ziegler, Andreas Siegfried⁵, Author
Nikolov, Svetoslav⁶, Author
Hild, Sabine⁷, Author
Raabe, Dierk⁶, Author
Neugebauer, Jörg⁸, 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
4Biological Composites, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863385
5Central Facility for Electron Microscopy, University of Ulm, Albert-Einstein-Allee 11, Ulm 89069, Germany, ou_persistent22
6Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863381
7Institute of Polymer Science, Johannes Kepler University, Austria, ou_persistent22
8Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337

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Language(s): eng - English

Dates: Created: 2011

Publication Status: Not specified

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Rev. Type: -

Identifiers: eDoc: 528623

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Title: TMS 2011

Place of Event: San Diego, CA, USA

Start-/End Date: 2011-02-27 - 2010-03-03

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