Journal article
Migration of Aluminum Atoms in the Transformation of γ–to θ–Alumina
MRS proceedings, v 731
2002
Featured in Collection : UN Sustainable Development Goals @ Drexel
Abstract
γ– and θ–alumina are two metastable phases of aluminum oxide observed along the thermal dehydration sequence of boehmite before conversion to the final product α–alumina. The transformation from γ– to θ–alumina was studied by using Al16O24 cells. Motion of some Al atoms from their γalumina positions to new positions and no O motions result in an approximate structure that, upon relaxation by first-principles calculations, becomes the known θ–alumina structure. Total-energy calculations along the paths of the atomic motions have been used to map out transformation pathways. The model accurately predicts experimentally observed domain boundaries in θ–alumina and the γ– to θ–alumina conversion rate.
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Details
- Title
- Migration of Aluminum Atoms in the Transformation of γ–to θ–Alumina
- Creators
- Shu-Hui Cai - Department of Physics, Xiamen University, Xiamen 361005, P.R.CKarl Sohlberg - Drexel University
- Contributors
- E.A. Olevsky (Editor)V. Tikare (Editor)A. Zavaliangos (Editor)
- Publication Details
- MRS proceedings, v 731
- Publisher
- Cambridge University Press
- Number of pages
- 6
- Resource Type
- Journal article
- Language
- English
- Academic Unit
- Materials Science and Engineering; Chemistry
- Web of Science ID
- WOS:000178623800018
- Other Identifier
- 991019173774604721
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InCites Highlights
Data related to this publication, from InCites Benchmarking & Analytics tool:
- Web of Science research areas
- Materials Science, Characterization & Testing
- Mathematics, Applied