Fast grain?boundary diffusion paths in ionic solids: Space?charge layers versus interfacial core

نویسندگان

چکیده

The accelerated diffusion of ions along grain boundaries in ionic solids may occur two possible paths: (a) the interface core (IC), as known for metals; and (b) space-charge layers (SCLs), located adjacent to core, which point defects responsible are accumulated. In this study, we examined whether it is possible, on basis profiles, discriminate between IC SCL paths. Taking cation MO2 oxides our example system, used finite-element-method (FEM) calculations obtain profiles various combinations fast grain-boundary Three characteristics feature were investigated: quantitative description “tail”, its dependence time, temperature (activation enthalpy). For all calculated with varying ratios diffusion, no criterion was found that allowed dominant path be identified. Consideration activation enthalpies, however, provide an indication path: If energy approaches or equals enthalpy bulk one conclude dominates.

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ژورنال

عنوان ژورنال: Journal of the American Ceramic Society

سال: 2021

ISSN: ['0002-7820', '1551-2916']

DOI: https://doi.org/10.1111/jace.17905