Ab initio výpočty stability fází a konstrukce fázového diagramu

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Title in English Ab initio calculations of stability of phases and phase diagram construction
Authors

VŘEŠŤÁL Jan ŠOB Mojmír

Year of publication 2002
Type Article in Periodical
Magazine / Source Chemické listy
MU Faculty or unit

Faculty of Informatics

Citation
Field Physical chemistry and theoretical chemistry
Keywords ab initio; phase diagram
Description Ab initio calculations of the difference of total energy of sigma-phase and standard reference phase was used for calculation of phase diagram in the Co-Cr and Fe-Cr systems.
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