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author:

Huang, Y.-Y. (Huang, Y.-Y..) [1] | Wu, B. (Wu, B..) [2] | 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

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. © 2020 Technical Faculty in Bor.

Keyword:

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

Community:

  • [ 1 ] [Huang, Y.-Y.]Multiscale Computational Materials Facility, College of Materials Science and Engineering, Fuzhou University, Fuzhou, China
  • [ 2 ] [Huang, Y.-Y.]Engineering Laboratory of Advanced Energy Materials, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang, China
  • [ 3 ] [Wu, B.]Multiscale Computational Materials Facility, College of Materials Science and Engineering, Fuzhou University, Fuzhou, China
  • [ 4 ] [Li, F.]School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai, China
  • [ 5 ] [Chen, L.-L.]Engineering Laboratory of Advanced Energy Materials, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang, China
  • [ 6 ] [Deng, Z.-X.]Engineering Laboratory of Advanced Energy Materials, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang, China
  • [ 7 ] [Chang, K.]Engineering Laboratory of Advanced Energy Materials, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo, Zhejiang, China

Reprint 's Address:

  • [Wu, B.]Multiscale Computational Materials Facility, College of Materials Science and Engineering, Fuzhou UniversityChina

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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 HC Threshold:196

JCR Journal Grade:3

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 6

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 4

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