Effect of pressure on the interactions and phase diagrams of binary alloys

G. Makov, M. Emuna, E. Yahel, Han Gyeol Kim, Joonho Lee

Research output: Contribution to journalArticle

3 Citations (Scopus)

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 languageEnglish
Article number109103
JournalComputational Materials Science
Volume169
DOIs
Publication statusPublished - 2019 Nov 1

Fingerprint

Binary Alloys
Binary alloys
binary alloys
Phase Diagram
Phase diagrams
diagrams
phase diagrams
Excess
Interaction
pressure dependence
interactions
Thermodynamics
thermodynamics
Pressure effects
pressure effects
Solubility
Melting point
Solid solutions
critical temperature
Critical Temperature

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 journalArticle

@article{f4f53c44496e4645b3ac7ccfb32c83b7,
title = "Effect of pressure on the interactions and phase diagrams of binary alloys",
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.",
keywords = "Alloy phase diagrams, CALPHAD, High-pressure, Thermodynamic modelling, Thermodynamic properties",
author = "G. Makov and M. Emuna and E. Yahel and Kim, {Han Gyeol} and Joonho Lee",
year = "2019",
month = "11",
day = "1",
doi = "10.1016/j.commatsci.2019.109103",
language = "English",
volume = "169",
journal = "Computational Materials Science",
issn = "0927-0256",
publisher = "Elsevier",

}

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 -