DOI: 10.1111/j.1151-2916.1994.tb07002.x. Calculated Structures and Energies of Grain Boundaries in α‐Al<sub>2</sub>O<sub>3</sub>

Calculated Structures and Energies of Grain Boundaries in α‐Al2O3

10.1111/j.1151-2916.1994.tb07002.x

Crossref journal-article

Wiley

Journal of the American Ceramic Society (311)

Abstract

Static‐lattice calculations of the energies and structures of {101n} (n = 0, 1, and 4) and {0001} grain boundaries in α‐AI2O3 using three different potentials are reported. It was found that the energies of boundaries perpendicular to the (0001) direction vary between 0.3 and 0.9 J·m−2. These compare favorably to experimental values, and the results are not sensitive to the choice of potential. The energies of the other boundaries do depend on the potential, but their relaxed structures do not. Using the most reliable potential, the energies of boundaries which have been studied by high‐resolution electron microscopy range from 1.0 to 1.7 J.m−2. Simulated images of the calculated structures compare favorably with high‐resolution electron microscope micrographs of these boundaries.

Bibliography

Kenway, P. R. (1994). Calculated Structures and Energies of Grain Boundaries in Î±âAl2O3. Journal of the American Ceramic Society, 77(2), 349â355. Portico.

Authors 1

Philip R. Kenway (first)

References 38 Referenced 66

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J. H.HardingandA. H.Harker “The Calculation of Interainomic Potentials Using Electron Gas Methods ” Report No. R10425. AERE Harwell U.K. 1982.
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{'issue': '2', 'key': 'e_1_2_1_29_2', 'first-page': '000', 'article-title': 'HRTEM Study of a Near ∑ 11 Tilt Boundary in α–Al203', 'volume': '11', 'author': 'Hoeche T.', 'year': '1993', 'journal-title': 'J. Am. Ceram. Soc'} / J. Am. Ceram. Soc / HRTEM Study of a Near ∑ 11 Tilt Boundary in α–Al203 by Hoeche T. (1993)
T.Hoche P. R.Kenway H.–J.Kleebe andM.RUhle “Structure of Special Grain Boundaries in α–Al2O3 ” to be submitted toJ. Phys. Chem. Solids..
T.Geipel J. B.Bilde–Sorensen K. P. D.Lagerlöf A. H.Heuer andP.Pirouz “Structure of Basal Twins in Sapphire ”Philos. Mag. in press (1993).
10.1111/j.1151-2916.1984.tb18851.x
W. D.Kaplan P. R.Kenway andD. O.Brandon “Polymorphic Basal Twin Boundaries and Anisotropic Grain Growth in α‐Al2O3 ” submitted toActa Metall.(1993).
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P. A.Morris “High Purity Al2O3: Processing and Grain Boundary Structures;”Ph.D. Thesis. Massachusetts Institute of Technology Cambridge MA 1986.

Dates

Type	When
Created	20 years, 5 months ago (March 8, 2005, 11:16 a.m.)
Deposited	1 year, 9 months ago (Nov. 23, 2023, 3:15 a.m.)
Indexed	1 month, 3 weeks ago (July 13, 2025, 10:29 p.m.)
Issued	31 years, 7 months ago (Feb. 1, 1994)
Published	31 years, 7 months ago (Feb. 1, 1994)
Published Online	20 years, 5 months ago (March 8, 2005)
Published Print	31 years, 7 months ago (Feb. 1, 1994)

Funders 0

None

BibTeX

@article{Kenway_1994, title={Calculated Structures and Energies of Grain Boundaries in α‐Al2O3}, volume={77}, ISSN={1551-2916}, url={http://dx.doi.org/10.1111/j.1151-2916.1994.tb07002.x}, DOI={10.1111/j.1151-2916.1994.tb07002.x}, number={2}, journal={Journal of the American Ceramic Society}, publisher={Wiley}, author={Kenway, Philip R.}, year={1994}, month=feb, pages={349–355} }

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