First Principles Calculations of Energetics of Sigma Phase Formation and Thermodynamic Modelling in Cr-Fe-W System
| Authors | |
|---|---|
| Year of publication | 2007 |
| Type | Article in Periodical |
| Magazine / Source | Materials Science and Engineering A |
| MU Faculty or unit | |
| Citation | |
| Field | Physical chemistry and theoretical chemistry |
| Keywords | ab initio calculations;sigma phase;phase diagram |
| Description | On the basis of ab initio electronic structure calculations, we provided a novel physical approach to the thermodynamic modelling of sigma phase and a reliable construction of the phase diagram of the Cr-Fe-W system. |
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