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

被引：55

作者：

Hasan, Md M. ^{[1
,2
]}

Dholabhai, Pratik P. ^{[3
]}

Dey, Sanchita ^{[1
,2
]}

Uberuaga, Blas P. ^{[3
]}

Castro, Ricardo H. R. ^{[1
,2
]}

机构：

[1] Univ Calif Davis, Dept Mat Sci & Engn, Davis, CA 95616 USA

[2] Univ Calif Davis, NEAT ORU, Davis, CA 95616 USA

[3] Los Alamos Natl Lab, Mat Sci & Technol Div, Los Alamos, NM 87545 USA

来源：

JOURNAL OF THE EUROPEAN CERAMIC SOCIETY | 2017年 / 37卷 / 13期

基金：

美国国家科学基金会;

关键词：

Nanocrystals; Thermodynamics; Grain boundary energy; Oxide; VACANCY FORMATION ENERGIES; SOLUTE SEGREGATION; DISLOCATION LINE; ALUMINATE; BEHAVIOR; NANOPARTICLES; CALORIMETRY; SURFACES; PROGRESS; OXIDES;

D O I：

10.1016/j.jeurceramsoc.2017.04.073

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

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 Sigma 3 (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. 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. (C) 2017 Elsevier Ltd. All rights reserved.

引用

页码：4043 / 4050

页数：8

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