Energetics and structure of the B-type solid solution in the Nd2O3–Y2O3 system

Ramandeep Mandia; Alexandra Navrotsky

doi:10.1111/jace.18522

Energetics and structure of the B-type solid solution in the Nd₂O₃–Y₂O₃ system

Ramandeep Mandia, Alexandra Navrotsky

Molecular Sciences, School of (SMS)

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

Abstract

The system Nd₂O₃–Y₂O₃ contains solid-solution phases with several different structures. Single-phase B-type (Nd₁₋_xY_x)₂O₃ solid solutions in the range of (Formula presented.) were formed at 1873 K and retained on cooling to ambient temperature. They showed a linear composition dependence of lattice parameters, enabling extrapolation to x = 0 and 1 for comparison with the structures of the stable endmembers. A positive enthalpy of formation from A-type Nd₂O₃ and C-type Y₂O₃ determined using oxide melt solution calorimetry indicated entropic stabilization of the B-type phase. A positive interaction parameter for mixing in the B-type solid solution, Ω (Formula presented.) 47.46 ± 4.04 kJ/mol, was obtained by fitting the data using a regular solution model. This value is significantly more positive than that obtained by previous phase diagram analysis using the CalPhaD approach. Exsolution into two B-type phases is predicted to occur below 1427 K, making it unimportant for the equilibrium phase relations that will be dominated by other structures at low temperature.

Original language	English (US)
Pages (from-to)	5843-5852
Number of pages	10
Journal	Journal of the American Ceramic Society
Volume	105
Issue number	9
DOIs	https://doi.org/10.1111/jace.18522
State	Published - Sep 2022

Keywords

oxides
rare earths
thermodynamics

ASJC Scopus subject areas

Ceramics and Composites
Materials Chemistry

Access to Document

10.1111/jace.18522

Cite this

@article{b52cab929155450cbda37c0e0cfc3bf3,

title = "Energetics and structure of the B-type solid solution in the Nd2O3–Y2O3 system",

abstract = "The system Nd2O3–Y2O3 contains solid-solution phases with several different structures. Single-phase B-type (Nd1−xYx)2O3 solid solutions in the range of (Formula presented.) were formed at 1873 K and retained on cooling to ambient temperature. They showed a linear composition dependence of lattice parameters, enabling extrapolation to x = 0 and 1 for comparison with the structures of the stable endmembers. A positive enthalpy of formation from A-type Nd2O3 and C-type Y2O3 determined using oxide melt solution calorimetry indicated entropic stabilization of the B-type phase. A positive interaction parameter for mixing in the B-type solid solution, Ω (Formula presented.) 47.46 ± 4.04 kJ/mol, was obtained by fitting the data using a regular solution model. This value is significantly more positive than that obtained by previous phase diagram analysis using the CalPhaD approach. Exsolution into two B-type phases is predicted to occur below 1427 K, making it unimportant for the equilibrium phase relations that will be dominated by other structures at low temperature.",

keywords = "oxides, rare earths, thermodynamics",

author = "Ramandeep Mandia and Alexandra Navrotsky",

note = "Funding Information: The authors would like to acknowledge Renee Hu and Sergey Ushakov for the synthesis of several samples, Nicholas Botto for microprobe analysis, Tamilarasan Subramani and Kevin Meisner for their assistance in experiments, and Sergey Ushakov and Shuhao Yang for fruitful discussions. This research was funded by the U.S. National Science Foundation Division of Materials Research under the award 2015852. Publisher Copyright: {\textcopyright} 2022 The American Ceramic Society.",

year = "2022",

month = sep,

doi = "10.1111/jace.18522",

language = "English (US)",

volume = "105",

pages = "5843--5852",

journal = "Journal of the American Ceramic Society",

issn = "0002-7820",

publisher = "Wiley-Blackwell",

number = "9",

}

TY - JOUR

T1 - Energetics and structure of the B-type solid solution in the Nd2O3–Y2O3 system

AU - Mandia, Ramandeep

AU - Navrotsky, Alexandra

N1 - Funding Information: The authors would like to acknowledge Renee Hu and Sergey Ushakov for the synthesis of several samples, Nicholas Botto for microprobe analysis, Tamilarasan Subramani and Kevin Meisner for their assistance in experiments, and Sergey Ushakov and Shuhao Yang for fruitful discussions. This research was funded by the U.S. National Science Foundation Division of Materials Research under the award 2015852. Publisher Copyright: © 2022 The American Ceramic Society.

PY - 2022/9

Y1 - 2022/9

N2 - The system Nd2O3–Y2O3 contains solid-solution phases with several different structures. Single-phase B-type (Nd1−xYx)2O3 solid solutions in the range of (Formula presented.) were formed at 1873 K and retained on cooling to ambient temperature. They showed a linear composition dependence of lattice parameters, enabling extrapolation to x = 0 and 1 for comparison with the structures of the stable endmembers. A positive enthalpy of formation from A-type Nd2O3 and C-type Y2O3 determined using oxide melt solution calorimetry indicated entropic stabilization of the B-type phase. A positive interaction parameter for mixing in the B-type solid solution, Ω (Formula presented.) 47.46 ± 4.04 kJ/mol, was obtained by fitting the data using a regular solution model. This value is significantly more positive than that obtained by previous phase diagram analysis using the CalPhaD approach. Exsolution into two B-type phases is predicted to occur below 1427 K, making it unimportant for the equilibrium phase relations that will be dominated by other structures at low temperature.

AB - The system Nd2O3–Y2O3 contains solid-solution phases with several different structures. Single-phase B-type (Nd1−xYx)2O3 solid solutions in the range of (Formula presented.) were formed at 1873 K and retained on cooling to ambient temperature. They showed a linear composition dependence of lattice parameters, enabling extrapolation to x = 0 and 1 for comparison with the structures of the stable endmembers. A positive enthalpy of formation from A-type Nd2O3 and C-type Y2O3 determined using oxide melt solution calorimetry indicated entropic stabilization of the B-type phase. A positive interaction parameter for mixing in the B-type solid solution, Ω (Formula presented.) 47.46 ± 4.04 kJ/mol, was obtained by fitting the data using a regular solution model. This value is significantly more positive than that obtained by previous phase diagram analysis using the CalPhaD approach. Exsolution into two B-type phases is predicted to occur below 1427 K, making it unimportant for the equilibrium phase relations that will be dominated by other structures at low temperature.

KW - oxides

KW - rare earths

KW - thermodynamics

UR - http://www.scopus.com/inward/record.url?scp=85129350985&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85129350985&partnerID=8YFLogxK

U2 - 10.1111/jace.18522

DO - 10.1111/jace.18522

M3 - Article

AN - SCOPUS:85129350985

SN - 0002-7820

VL - 105

SP - 5843

EP - 5852

JO - Journal of the American Ceramic Society

JF - Journal of the American Ceramic Society

IS - 9

ER -