Abstract
The phase diagrams of binary alloys have been found to vary with pressure. Within the framework of solution-type models, the variation is controlled by the pressure dependence of the elemental end members, which is relatively well known, and that of the excess interaction, which is relatively unknown. Exact thermodynamic relationships for the pressure and temperature dependence of the interaction parameters in an alloy solution are developed and related to the composition dependence of the excess thermodynamic quantities measured at ambient conditions. The effect of pressure modification of the interaction parameter on phase diagrams and solubility limits is explored in model systems identifying the critical role of the excess volume. It is found that the most significant pressure effects on the phase diagram are to be expected when the critical temperature associated with the solid solution interaction parameter is similar to the melting temperatures of the end-members and the excess volume of the is large.
| Original language | English |
|---|---|
| Article number | 109103 |
| Journal | Computational Materials Science |
| Volume | 169 |
| DOIs | |
| Publication status | Published - 2019 Nov 1 |
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Keywords
- Alloy phase diagrams
- CALPHAD
- High-pressure
- Thermodynamic modelling
- Thermodynamic properties
ASJC Scopus subject areas
- Computer Science(all)
- Chemistry(all)
- Materials Science(all)
- Mechanics of Materials
- Physics and Astronomy(all)
- Computational Mathematics
Cite this
Effect of pressure on the interactions and phase diagrams of binary alloys. / Makov, G.; Emuna, M.; Yahel, E.; Kim, Han Gyeol; Lee, Joonho.
In: Computational Materials Science, Vol. 169, 109103, 01.11.2019.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Effect of pressure on the interactions and phase diagrams of binary alloys
AU - Makov, G.
AU - Emuna, M.
AU - Yahel, E.
AU - Kim, Han Gyeol
AU - Lee, Joonho
PY - 2019/11/1
Y1 - 2019/11/1
N2 - The phase diagrams of binary alloys have been found to vary with pressure. Within the framework of solution-type models, the variation is controlled by the pressure dependence of the elemental end members, which is relatively well known, and that of the excess interaction, which is relatively unknown. Exact thermodynamic relationships for the pressure and temperature dependence of the interaction parameters in an alloy solution are developed and related to the composition dependence of the excess thermodynamic quantities measured at ambient conditions. The effect of pressure modification of the interaction parameter on phase diagrams and solubility limits is explored in model systems identifying the critical role of the excess volume. It is found that the most significant pressure effects on the phase diagram are to be expected when the critical temperature associated with the solid solution interaction parameter is similar to the melting temperatures of the end-members and the excess volume of the is large.
AB - The phase diagrams of binary alloys have been found to vary with pressure. Within the framework of solution-type models, the variation is controlled by the pressure dependence of the elemental end members, which is relatively well known, and that of the excess interaction, which is relatively unknown. Exact thermodynamic relationships for the pressure and temperature dependence of the interaction parameters in an alloy solution are developed and related to the composition dependence of the excess thermodynamic quantities measured at ambient conditions. The effect of pressure modification of the interaction parameter on phase diagrams and solubility limits is explored in model systems identifying the critical role of the excess volume. It is found that the most significant pressure effects on the phase diagram are to be expected when the critical temperature associated with the solid solution interaction parameter is similar to the melting temperatures of the end-members and the excess volume of the is large.
KW - Alloy phase diagrams
KW - CALPHAD
KW - High-pressure
KW - Thermodynamic modelling
KW - Thermodynamic properties
UR - http://www.scopus.com/inward/record.url?scp=85068132698&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85068132698&partnerID=8YFLogxK
U2 - 10.1016/j.commatsci.2019.109103
DO - 10.1016/j.commatsci.2019.109103
M3 - Article
AN - SCOPUS:85068132698
VL - 169
JO - Computational Materials Science
JF - Computational Materials Science
SN - 0927-0256
M1 - 109103
ER -