Energetics of sigma phase formation in Mo-X (X=Co, Cr, Fe) systems
| Authors | |
|---|---|
| Year of publication | 2006 |
| Type | Article in Proceedings |
| Conference | Diffusion and Thermodynamics of Materials /IX/ |
| MU Faculty or unit | |
| 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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