Použití výpočtů elektronové struktury ab initio pro predikci struktury superaustenitických ocelí
| Title in English | Application of ab inito electronic structure calculations for prediction of structure of superaustenitic steels |
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| Authors | |
| Year of publication | 2006 |
| Type | Article in Proceedings |
| Conference | 6. Pracovní setkání fyzikálních chemiků a elektrochemiků |
| MU Faculty or unit | |
| Citation | |
| Field | Thermodynamics |
| Keywords | Thermodynamics; electronic structure; phase diagram; database |
| Description | Thermodynamic description of sigma phase, based on the ab initio calculated difference of total energies of sigma phase and standard element reference phase, was successfully used for calculation of phase equilibria in superaustenitic steels. |
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