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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] (Scholars:吴波)

Indexed by:

EI Scopus SCIE

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. (C) 2015 Elsevier Ltd. All rights reserved.

Keyword:

CALPHAD First-principles calculation Phase diagram The associate model The Yb-Bi system The Yb-Te system

Community:

  • [ 1 ] [Wang, Jinsan]Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China
  • [ 2 ] [Yuan, Yue]Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China
  • [ 3 ] [Li, Changrong]Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China
  • [ 4 ] [Guo, Cuiping]Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China
  • [ 5 ] [Du, Zhenmin]Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China
  • [ 6 ] [Wang, Jinsan]Beijing Inst Aeronaut Mat, Beijing 100095, Peoples R China
  • [ 7 ] [Wu, Bo]Fuzhou Univ, Sch Mat Sci & Engn, Fuzhou 350100, Peoples R China

Reprint 's Address:

  • [Li, Changrong]Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R 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 Discipline: MATERIALS SCIENCE;

ESI HC Threshold:335

JCR Journal Grade:1

CAS Journal Grade:2

Cited Count:

WoS CC Cited Count: 7

SCOPUS Cited Count: 4

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

Online/Total:100/10016001
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