Energetics of sigma phase formation in Mo-X (X=Co, Cr, Fe) systems

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Authors

HOUSEROVÁ Jana ŠOB Mojmír

Year of publication 2006
Type Article in Proceedings
Conference Diffusion and Thermodynamics of Materials /IX/
MU Faculty or unit

Faculty of Science

Citation
Field Physical chemistry and theoretical chemistry
Keywords Thermodynamics; sigma phase; molybdenum
Description In systems Mo-Co, Mo-Cr and Mo-Fe, we performed calculations of the total energies of formation of all 32 possible occupations of sublattices in sigma phase structure. The optimisation of the lattice parameters of all structures was included. Sigma phases in studied systems exhibit positive values of energies of formation and it is supposed that the stability of the really existing sigma phases (i.e. Mo-Fe and Mo-Co) is due to configurational and vibrational entropies.
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