Publication details
First Principles Calculations of Energetics of Sigma Phase Formation and Thermodynamic Modelling in Cr-Fe-W System
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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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