Application of First-Principles Electronic Structure Calculations in Prediction of Structure of Steels

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Authors

VŘEŠŤÁL Jan KROUPA Aleš ŠOB Mojmír

Year of publication 2006
Type Article in Proceedings
Conference TOFA 2006-Book of Abstracts
MU Faculty or unit

Faculty of Science

Citation
Field Thermodynamics
Keywords first-principles electronic structure thermodynamics steel
Description Description of total energy of sigma phase was used in thermodynamic database for calculation of phase equilibria in steels.
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