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author:

Wang, Jinsan (Wang, Jinsan.) [1] | Yuan, Yue (Yuan, Yue.) [2] | Li, Changrong (Li, Changrong.) [3] | Guo, Cuiping (Guo, Cuiping.) [4] | Du, Zhenmin (Du, Zhenmin.) [5] | Wu, Bo (Wu, Bo.) [6]

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EI

Abstract:

The Yb-Bi and the Yb-Te systems are thermodynamically assessed by CALPHAD approach based on the available experimental data including thermochemical properties and phase equilibria. All of the intermetallic phases in these two systems are treated as stoichiometric compounds due to their unnoticeable homogeneity ranges, and their formation enthalpies at 0 K are calculated by the first-principles method to supplement the thermochemical property data for the present optimization. The values of the first-principles calculation are confirmed by the lattice constants and the equilibrium modulus of the compounds available from experiments. Given the asymmetric shapes of the liquidus around the compounds Yb4Bi3/YbTe in the Yb-Bi/Te phase diagrams, both the associate model and the sub-regular solution model are used to describe the Gibbs free energy of the liquid phase for the two systems. The comparison between the optimization results and the experimental data for the Yb-Bi/Te systems shows that a much better agreement is obtained by means of the associate model than the sub-regular solution model. © 2015 Elsevier Ltd. All rights reserved.

Keyword:

Binary alloys Calculations Equilibrium constants Free energy Gibbs free energy Lattice constants Phase diagrams Phase equilibria Thermochemistry

Community:

  • [ 1 ] [Wang, Jinsan]School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing; 100083, China
  • [ 2 ] [Wang, Jinsan]Beijing Institute of Aeronautical Materials, Beijing; 100095, China
  • [ 3 ] [Yuan, Yue]School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing; 100083, China
  • [ 4 ] [Li, Changrong]School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing; 100083, China
  • [ 5 ] [Guo, Cuiping]School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing; 100083, China
  • [ 6 ] [Du, Zhenmin]School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing; 100083, China
  • [ 7 ] [Wu, Bo]School of Materials Science and Engineering, Fuzhou University, Fuzhou; 350100, China

Reprint 's Address:

  • [li, changrong]school of materials science and engineering, university of science and technology beijing, beijing; 100083, china

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Source :

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

ISSN: 0364-5916

Year: 2015

Volume: 51

Page: 306-313

2 . 1 2 9

JCR@2015

1 . 9 0 0

JCR@2023

ESI HC Threshold:335

JCR Journal Grade:1

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 4

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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