Publication details
First Principles Calculations Results in Phase Diagram Calculations
| Authors | |
|---|---|
| Year of publication | 2001 |
| Type | Article in Proceedings |
| Conference | First Yugoslav Symposium on Thermodynamics and Phase Diagrams |
| MU Faculty or unit | |
| Citation | |
| Field | Thermodynamics |
| Keywords | Thermodynamics; phase diagrams; first-principles calculations |
| Description | The first principles computations of total energies of complex phases was used for modelling of intermetallic phases in CALPHAD method of calculations of phase diagrams. |
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