کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5436184 1509544 2017 14 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
A model for time-dependent grain boundary diffusion of ions and electrons through a film or scale, with an application to alumina
ترجمه فارسی عنوان
یک مدل برای انتشار وابسته به زمان دانه یونها و الکترونها از طریق یک فیلم یا مقیاس با استفاده از آلومینا
کلمات کلیدی
انتشار مرز دانه، جنبش رشد اکسید فیلم، غشای سرامیک، آلومینا، پواسون-نرستان پلانک،
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد سرامیک و کامپوزیت
چکیده انگلیسی

A model for ionic and electronic grain boundary transport through thin films, scales or membranes with columnar grain structure is introduced. The grain structure is idealized as a lattice of identical hexagonal cells - a honeycomb pattern. Reactions with the environment constitute the boundary conditions and drive the transport between the surfaces. Time-dependent simulations solving the Poisson equation self-consistently with the Nernst-Planck flux equations for the mobile species are performed. In the resulting Poisson-Nernst-Planck system of equations, the electrostatic potential is obtained from the Poisson equation in its integral form by summation. The model is used to interpret alumina membrane oxygen permeation experiments, in which different oxygen gas pressures are applied at opposite membrane surfaces and the resulting flux of oxygen molecules through the membrane is measured. Simulation results involving four mobile species, charged aluminum and oxygen vacancies, electrons, and holes, provide a complete description of the measurements and insight into the microscopic processes underpinning the oxygen permeation of the membrane. Most notably, the hypothesized transition between p-type and n-type ionic conductivity of the alumina grain boundaries as a function of the applied oxygen gas pressure is observed in the simulations. The range of validity of a simple analytic model for the oxygen permeation rate, similar to the Wagner theory of metal oxidation, is quantified by comparison to the numeric simulations. The three-dimensional model we develop here is readily adaptable to problems such as transport in a solid state electrode, or corrosion scale growth.

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Acta Materialia - Volume 132, 15 June 2017, Pages 503-516
نویسندگان
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