ChemInform Abstract: Enthalpy Increments and Enthalpies of Formation of Cd0.83Ni0.17 and Cd0.5Ni0.5 Intermetallic Compounds.

ChemInform ◽  
2010 ◽  
Vol 32 (28) ◽  
pp. no-no
Author(s):  
R. Agarwal ◽  
R. Prasad ◽  
V. Venugopal
Keyword(s):  
Intermetallic Compounds ◽  
Enthalpies Of Formation ◽  
Enthalpy Increments

scholarly journals Enthalpies of formation of Cd–Pr intermetallic compounds and thermodynamic assessment of the Cd–Pr system

Calphad ◽  
2014 ◽  
Vol 47 ◽  
pp. 56-62 ◽  
Author(s):  
Thomas L. Reichmann ◽  
Klaus W. Richter ◽  
Simona Delsante ◽  
Gabriella Borzone ◽  
Herbert Ipser
Keyword(s):  
Intermetallic Compounds ◽  
Thermodynamic Assessment ◽  
Enthalpies Of Formation

scholarly journals Thermodynamic modeling of the In-Sc and In-Y systems supported by first-principles calculations

2018 ◽  
Vol 54 (2) ◽  
pp. 161-167 ◽  
Author(s):  
Z. Hu ◽  
C. Huang ◽  
J. Tu ◽  
Y. Huang ◽  
A. Dong
Keyword(s):  
Intermetallic Compounds ◽  
Thermodynamic Modeling ◽  
First Principles ◽  
Regular Solution Model ◽  
Calphad Method ◽  
Enthalpies Of Formation ◽  
Thermodynamic Optimization ◽  
First Principles Calculations ◽  
Self Consistent ◽  
Good Agreement

Based on an assessment of the phase equilibria and thermodynamic data in the literature, the thermodynamic modeling of the In?Sc and In?Y systems was carried out by means of the calculation of phase diagram (CALPHAD) method supported by first-principles calculations. The solution phases, i.e., liquid, (In), (?Sc), (?Sc), (?Y) and (?Y), were modeled with the substitutional regular solution model. Ten intermetallic compounds, including InSc3, InSc2, In4Sc5, InSc, In2Sc, In3Sc, InY2, InY, In5Y3, and In3Y were described as stoichiometric phases, while In3Y5 was modeled with a sublattice model with respect to its homogeneity range. The enthalpies of formation of the intermetallic compounds at 0 K were computed using firstprinciple calculations and were used as input for the thermodynamic optimization. A set of self-consistent thermodynamic parameters for both the In?Sc and In?Y systems were obtained and the calculated phase diagrams are in good agreement with the experimental data.

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