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author:

Huang, Y-Y (Huang, Y-Y.) [1] | Wu, B. (Wu, B..) [2] (Scholars:吴波) | Li, F. (Li, F..) [3] | Chen, L-L (Chen, L-L.) [4] | Deng, Z-X (Deng, Z-X.) [5] | Chang, K. (Chang, K..) [6]

Indexed by:

Scopus SCIE

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.

Keyword:

CALPHAD First-principles Ir-Mo Ir-W Phase diagram

Community:

  • [ 1 ] [Huang, Y-Y]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou, Peoples R China
  • [ 2 ] [Wu, B.]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou, Peoples R China
  • [ 3 ] [Huang, Y-Y]Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Engn Lab Adv Energy Mat, Ningbo, Zhejiang, Peoples R China
  • [ 4 ] [Chen, L-L]Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Engn Lab Adv Energy Mat, Ningbo, Zhejiang, Peoples R China
  • [ 5 ] [Deng, Z-X]Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Engn Lab Adv Energy Mat, Ningbo, Zhejiang, Peoples R China
  • [ 6 ] [Chang, K.]Chinese Acad Sci, Ningbo Inst Mat Technol & Engn, Engn Lab Adv Energy Mat, Ningbo, Zhejiang, Peoples R China
  • [ 7 ] [Li, F.]Shanghai Jiao Tong Univ, Sch Mat Sci & Engn, Shanghai, Peoples R China

Reprint 's Address:

  • 吴波

    [Wu, B.]Fuzhou Univ, Coll Mat Sci & Engn, Multiscale Computat Mat Facil, Fuzhou, Peoples R China;;[Li, F.]Shanghai Jiao Tong Univ, Sch Mat Sci & Engn, Shanghai, Peoples R China

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Source :

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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