Multiscale modeling of Laves phases in chromium alloys

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Authors

VŘEŠŤÁL Jan PAVLŮ Jana ŠOB Mojmír

Year of publication 2007
Type Article in Proceedings
Conference European Congress on Advanced Materials and Processes - EUROMAT 2007
MU Faculty or unit

Faculty of Science

Citation
Field Physical chemistry and theoretical chemistry
Keywords ab initio calculations;Laves phase;multiscale modelling
Description On the basis of ab initio electronic structure calculations, we provided a thermodynamic modelling of Laves phase and a reliable construction of the phase diagram of the Ta- and Nb-Cr systems.
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