Publication details
Application of ab initio electronic structure calculations in construction of phase diagrams of complex systems
| Authors | |
|---|---|
| Year of publication | 2006 |
| Type | Article in Proceedings |
| Conference | Multiscale Materials Modeling conference /3./ |
| MU Faculty or unit | |
| Citation | |
| Field | Thermodynamics |
| Keywords | electronic structure calculations; phase diagrams; CALPHAD |
| Description | We address the application of ab initio calculations to modelling of phase equilibria and to construction of phase diagrams in binary and ternary iron systems containing complex intermetallic phases in the combination with the CALPHAD method. |
| Related projects: |