Influence of cation species on thermal expansion of Y2Si2O7–Gd2Si2O7 solid solutions

Stokes, Jamesa L.; Bodenschatz, Cameron J.; Harder, Bryan J.; Wiesner, Valerie L.; Saidi, Wissam A.; Wolfe, Douglas E.

doi:10.1016/j.jssc.2023.124229

Influence of cation species on thermal expansion of Y₂Si₂O₇–Gd₂Si₂O₇ solid solutions

Journal Article · Sat Jul 22 00:00:00 EDT 2023 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2023.124229· OSTI ID:2520164

^[1]; ^[1]; Harder, Bryan J. ^[1]; Wiesner, Valerie L. ^[2]; Saidi, Wissam A. ^[3]; Wolfe, Douglas E. ^[4]

NASA Glenn Research Center, Cleveland, OH (United States)
NASA Langley Research Center, Hampton, VA (United States)
Univ. of Pittsburgh, PA (United States); National Energy Technology Laboratory (NETL), Pittsburgh, PA (United States)
Pennsylvania State Univ., University Park, PA (United States)

Mixtures of Y₂Si₂O₇ and Gd₂Si₂O₇ were synthesized by solid-state reaction at 1600°C and characterized via in situ x-ray diffraction (XRD) to determine their coefficients of thermal expansion (CTE). All solid solutions within the system exhibited the orthorhombic δ-RE₂Si₂O₇ (Pna2₁) structure. Thermal expansion measurements of Y₂Si₂O₇ and Gd₂Si₂O₇ correlated well with reported values in literature, and all synthesized solid solutions exhibited CTEs between Y₂Si₂O₇ and Gd₂Si₂O₇. Generally, there was a slight decrease in CTE exhibited by the materials with increasing Gd₂Si₂O₇ content, with Gd₂Si₂O₇ having the lowest CTEs and Y₂Si₂O₇ the highest CTEs. Here, the decrease in CTE was attributed to stronger bonds of Gd-O over Y-O, as determined by calculated crystal orbital Hamilton populations using density functional theory. However, such differences were very small and crystal structure was the dominating factor in CTE trends.

View Accepted Manuscript (DOE)

Research Organization:: National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)

Sponsoring Organization:: USDOE Office of Fossil Energy and Carbon Management (FECM)

OSTI ID:: 2520164

Journal Information:: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 2023 Vol. 327; ISSN 0022-4596

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Influence of cation species on thermal expansion of Y₂Si₂O₇–Gd₂Si₂O₇ solid solutions