Grain boundary energy control in zinc aluminate nanoceramics

IF 3.5 3区材料科学 Q1 MATERIALS SCIENCE, CERAMICS Journal of the American Ceramic Society Pub Date : 2025-01-22 DOI:10.1111/jace.20383

Luis Sotelo Martin, Alexander Campos-Quiros, Masashi Watanabe, Jeremy K. Mason, Paul C. M. Fossati, Blas P. Uberuaga, Ricardo H. R. Castro

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Abstract

This study investigates the grain boundary energy dependence on segregated dopants in nanocrystalline zinc aluminate ceramics. Atomistic simulations of Σ3 and Σ9 grain boundaries showed that trivalent ions of varying ionic radii [Sc³⁺ (74.5 pm), In³⁺ (80.0 pm), Y³⁺ (90.0 pm), and Nd³⁺ (98.3 pm)] have a tendency to segregate to both interfaces, with Y³⁺ presenting the highest segregation potentials. The connection between segregation and the reduction of interfacial energies was explored by measuring the grain boundary energy on nanoceramics fabricated via high-pressure spark plasma sintering (HP-SPS) using differential scanning calorimetry (DSC). The results revealed that Y³⁺ doping at 0.5 mol% reduces the grain boundary energy in zinc aluminate nanoceramics from 1.1–1.3 J/m² to 0.6–0.8 J/m²; the range correlates with the observed size dependence of the excess energy, with higher values observed for the smaller grain sizes (∼17 nm). The noted decrease in interfacial energies for doped samples suggests it is indeed possible to alter the stability of zinc aluminate grain boundaries via dopant segregation.

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来源期刊

Journal of the American Ceramic Society 工程技术-材料科学：硅酸盐

CiteScore

7.50

自引率

7.70%

发文量

590

审稿时长

2.1 months

期刊介绍： The Journal of the American Ceramic Society contains records of original research that provide insight into or describe the science of ceramic and glass materials and composites based on ceramics and glasses. These papers include reports on discovery, characterization, and analysis of new inorganic, non-metallic materials; synthesis methods; phase relationships; processing approaches; microstructure-property relationships; and functionalities. Of great interest are works that support understanding founded on fundamental principles using experimental, theoretical, or computational methods or combinations of those approaches. All the published papers must be of enduring value and relevant to the science of ceramics and glasses or composites based on those materials. Papers on fundamental ceramic and glass science are welcome including those in the following areas: Enabling materials for grand challenges[...] Materials design, selection, synthesis and processing methods[...] Characterization of compositions, structures, defects, and properties along with new methods [...] Mechanisms, Theory, Modeling, and Simulation[...] JACerS accepts submissions of full-length Articles reporting original research, in-depth Feature Articles, Reviews of the state-of-the-art with compelling analysis, and Rapid Communications which are short papers with sufficient novelty or impact to justify swift publication.