Reduced grain boundary energies in rare-earth doped MgAl2O4 spinel and consequent grain growth inhibition

Hasan, Md M.; Dholabhai, Pratik P.; Dey, Sanchita; Uberuaga, Blas P.; Castro, Ricardo H. R.

doi:10.1016/j.jeurceramsoc.2017.04.073

Title: Reduced grain boundary energies in rare-earth doped MgAl₂O₄ spinel and consequent grain growth inhibition

Journal Article · Mon May 15 00:00:00 EDT 2017 · Journal of the European Ceramic Society

DOI:https://doi.org/10.1016/j.jeurceramsoc.2017.04.073· OSTI ID:1369200

Hasan, Md M. ^[1]; Dholabhai, Pratik P. ^[2]; Dey, Sanchita ^[1]; Uberuaga, Blas P. ^[2]; Castro, Ricardo H. R. ^[1]

Univ. of California, Davis, CA (United States). Dept. of Materials Science and Engineering. NEAT ORU
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

In this paper, grain growth inhibition in MgAl₂O₄ spinel nanostructure was achieved by grain boundary (GB) segregation of rare-earth dopants. Microcalorimetric measurements showed that dense spinel compacts doped with 3 mol% of R₂O₃ (R = Y, Gd, and La) had decreased GB energies as compared to the undoped spinel, representing reduction in the driving force for grain growth. Segregation energies of the three dopants to the Σ3 (111) GB were calculated by atomistic simulation. The dopants with higher ionic radius tend to segregate more strongly to GBs. The GB energies were calculated from atomistic simulation and, consistent with experiments, a systematic reduction in GB energy with dopant ionic size was found. Finally, high temperature grain growth experiments revealed a significant reduction of grain growth in the doped nanostructures as compared to the undoped one, which was attributed to increased metastability or possibly also a GB dragging originated from the dopant segregation.

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Research Organization:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF); USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-06NA25396; DMR-1609781

OSTI ID:: 1369200

Alternate ID(s):: OSTI ID: 1706186

Report Number(s):: LA-UR-17-21471

Journal Information:: Journal of the European Ceramic Society, Vol. 37, Issue 13; ISSN 0955-2219

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 27 works

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