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author:

Wang, Jinsan (Wang, Jinsan.) [1] | Li, Changrong (Li, Changrong.) [2] | Guo, Cuiping (Guo, Cuiping.) [3] | Du, Zhenmin (Du, Zhenmin.) [4] | Wu, Bo (Wu, Bo.) [5] (Scholars:吴波)

Indexed by:

EI Scopus SCIE

Abstract:

Based on the available experimental data, the Bi-Er and the Bi-Dy binary systems have been assessed thermodynamically using the CALPHAD (CALculaton of PHAse Diagram) technique. The formation enthalpies at OK of the compounds, Bi3Er5, BiEr, Bi3Dy5 and BiDy, were calculated by the first-principles method and Birch-Murnaghan equation of state, and the calculated results were used in the present thermodynamic optimization. All these compounds in the Bi-Er and the Bi-Dy systems were treated as stoichiometric compounds. The liquid phase was modeled as a substitutional solution phase based on random mixing of the constituent atoms and the excess Gibbs energy was formulated with the Redlich-Kister polynomial. Good agreements were obtained between the calculated results and the experimental data for both the thermochemical properties and the phase equilibrium relations. (C) 2013 Elsevier B.V. All rights reserved.

Keyword:

CALPHAD First-principles calculations Phase diagram The Bi-Dy system The Bi-Er system

Community:

  • [ 1 ] [Wang, Jinsan]Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China
  • [ 2 ] [Li, Changrong]Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China
  • [ 3 ] [Guo, Cuiping]Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China
  • [ 4 ] [Du, Zhenmin]Univ Sci & Technol Beijing, Sch Mat Sci & Engn, Beijing 100083, Peoples R China
  • [ 5 ] [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 :

THERMOCHIMICA ACTA

ISSN: 0040-6031

Year: 2013

Volume: 566

Page: 44-49

2 . 1 0 5

JCR@2013

3 . 1 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:2

CAS Journal Grade:4

Cited Count:

WoS CC Cited Count: 10

SCOPUS Cited Count: 10

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 1

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