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Importance of anharmonic free energy contributions in an ab initio description of the hcp to bcc transition in Ti

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Korbmacher,  Dominique
Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Glensk,  Albert
Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Grabowski,  Blazej
Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society;

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Hickel,  Tilmann
Computational Phase Studies, Computational Materials 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

Korbmacher, D., Glensk, A., Grabowski, B., Hickel, T., & Neugebauer, J. (2014). Importance of anharmonic free energy contributions in an ab initio description of the hcp to bcc transition in Ti. Talk presented at DPG-Frühjahrstagung 2014. Dresden, Germany. 2014-03-30 - 2014-04-04.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0028-1559-C
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