Experimental and computational studies of melting of the spinel phase in the Fe–Al–O ternary system

Can Agca; Greta Lindwall; Jake W. McMurray; Jörg C. Neuefeind; Zi Kui Liu; Alexandra Navrotsky

doi:10.1016/j.calphad.2020.101798

Experimental and computational studies of melting of the spinel phase in the Fe–Al–O ternary system

Can Agca
, Greta Lindwall
, Jake W. McMurray
, Jörg C. Neuefeind
, Zi Kui Liu
, Alexandra Navrotsky

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

The melting behavior of spinel in the Fe–Al–O system at high temperatures (1500–1800 °C) was studied by a combination of experimental and computational investigations. Differential thermal analysis (DTA) at ultra-high temperatures coupled with cooling traces on CO₂ laser-heated levitated samples provided melting temperatures and the heats of fusion of (Fe,Al)₃O₄ spinel phases. The experimental results are in fair agreement with the predictions using a published CALPHAD description and areas for modeling improvement are identified. New insights into the melting of defect spinel are provided.

Original language	English (US)
Article number	101798
Journal	Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
Volume	70
DOIs	https://doi.org/10.1016/j.calphad.2020.101798
State	Published - Sep 2020

All Science Journal Classification (ASJC) codes

General Chemistry
General Chemical Engineering
Computer Science Applications

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10.1016/j.calphad.2020.101798

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title = "Experimental and computational studies of melting of the spinel phase in the Fe–Al–O ternary system",

abstract = "The melting behavior of spinel in the Fe–Al–O system at high temperatures (1500–1800 °C) was studied by a combination of experimental and computational investigations. Differential thermal analysis (DTA) at ultra-high temperatures coupled with cooling traces on CO2 laser-heated levitated samples provided melting temperatures and the heats of fusion of (Fe,Al)3O4 spinel phases. The experimental results are in fair agreement with the predictions using a published CALPHAD description and areas for modeling improvement are identified. New insights into the melting of defect spinel are provided.",

author = "Can Agca and Greta Lindwall and McMurray, \{Jake W.\} and Neuefeind, \{J{\"o}rg C.\} and Liu, \{Zi Kui\} and Alexandra Navrotsky",

note = "Publisher Copyright: {\textcopyright} 2020 Elsevier Ltd",

year = "2020",

month = sep,

doi = "10.1016/j.calphad.2020.101798",

language = "English (US)",

volume = "70",

journal = "Calphad: Computer Coupling of Phase Diagrams and Thermochemistry",

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T1 - Experimental and computational studies of melting of the spinel phase in the Fe–Al–O ternary system

AU - Agca, Can

AU - Lindwall, Greta

AU - McMurray, Jake W.

AU - Neuefeind, Jörg C.

AU - Liu, Zi Kui

AU - Navrotsky, Alexandra

PY - 2020/9

Y1 - 2020/9

N2 - The melting behavior of spinel in the Fe–Al–O system at high temperatures (1500–1800 °C) was studied by a combination of experimental and computational investigations. Differential thermal analysis (DTA) at ultra-high temperatures coupled with cooling traces on CO2 laser-heated levitated samples provided melting temperatures and the heats of fusion of (Fe,Al)3O4 spinel phases. The experimental results are in fair agreement with the predictions using a published CALPHAD description and areas for modeling improvement are identified. New insights into the melting of defect spinel are provided.

AB - The melting behavior of spinel in the Fe–Al–O system at high temperatures (1500–1800 °C) was studied by a combination of experimental and computational investigations. Differential thermal analysis (DTA) at ultra-high temperatures coupled with cooling traces on CO2 laser-heated levitated samples provided melting temperatures and the heats of fusion of (Fe,Al)3O4 spinel phases. The experimental results are in fair agreement with the predictions using a published CALPHAD description and areas for modeling improvement are identified. New insights into the melting of defect spinel are provided.

UR - https://www.scopus.com/pages/publications/85087970505

UR - https://www.scopus.com/pages/publications/85087970505#tab=citedBy

U2 - 10.1016/j.calphad.2020.101798

DO - 10.1016/j.calphad.2020.101798

M3 - Article

AN - SCOPUS:85087970505

SN - 0364-5916

VL - 70

JO - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

JF - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

M1 - 101798

ER -

Experimental and computational studies of melting of the spinel phase in the Fe–Al–O ternary system

Abstract

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