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Abstract:
This study presents the thermodynamic modeling of the Ir-Mo and Ir-W systems by means of the CALPHAD (CALculation of PHAse Diagrams) approach supported with the first-principles calculations. A critical evaluation of the phase equilibria and the thermodynamic property data in literature was conducted for both systems. Due to the lack of experimental data, the first-principles calculations were applied to obtain the enthalpies of the solid and intermetallic phases. The thermodynamic parameters were assessed using the PARROT module of Thermo-Calc. A set of self-consistent parameters for the Ir-Mo and Ir-W systems was obtained after the optimization. Satisfactory agreement between the calculated results and the experimental data, including phase equilibria and thermodynamic properties was achieved.
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JOURNAL OF MINING AND METALLURGY SECTION B-METALLURGY
ISSN: 1450-5339
Year: 2020
Issue: 1
Volume: 56
Page: 109-118
1 . 3 8 2
JCR@2020
0 . 9 0 0
JCR@2023
ESI Discipline: MATERIALS SCIENCE;
ESI HC Threshold:196
JCR Journal Grade:3
CAS Journal Grade:4
Cited Count:
WoS CC Cited Count: 6
SCOPUS Cited Count: 6
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 2
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