| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 7955210 | Calphad | 2018 | 13 Pages |
Abstract
The Fe-Cr system is re-assessed, focusing on an improved modeling of Ï phase. The three sublattice model (Cr,Fe)10(Cr,Fe)4(Cr,Fe)16 is parameterized to model the Ï phase, solving discrepancies between computed and experimental site fractions of previous descriptions. Taking into account relative metastability trends of end-member compounds from first-principles analysis, only two additional interaction parameters of the Ï-FeCr description were required for the reproduction of the chemical structure, thermodynamic properties and phase boundaries.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
Aurélie Jacob, Erwin Povoden-Karadeniz, Ernst Kozeschnik,