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High Resolution Electron Microscopy and Computer Simulation Studies of the Atomic Structure of Tilt Boundaries in TiO2

Published online by Cambridge University Press:  15 February 2011

Yaping Liu ,
Imtiaz Majid  and
John B. Vander Sande
Yaping Liu
Affiliation:
Department of Materials Science and Engineering Massachusetts Institute of Technology Cambridge, MA 02139, U.S.A.
Imtiaz Majid
Affiliation:
Department of Materials Science and Engineering Massachusetts Institute of Technology Cambridge, MA 02139, U.S.A.
John B. Vander Sande
Affiliation:
Department of Materials Science and Engineering Massachusetts Institute of Technology Cambridge, MA 02139, U.S.A.
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Abstract

The atomic structure of [001] tilt grain boundaries of Σ25 (210), Σ5 (310), Σ213 (320) and Σ217 (410) in TiO2 (rutile) were studied using high resolution electron microscopy and computer simulation. Regularly separated small steps (1/2 [120] high) and big steps (3/2 [120] high) which contain secondary dislocations were found in the (210) boundary as a result of deviation from the exact Σ5 misorientation and (210) symmetric plane. Similar steps were also found in (310) and (320) boundaries. Flat segments between the steps were found to have very accurate misorientation of their, Σ's and a nearly symmetric boundary plane. Their rigid body translation, volume expansion and relaxed structures were determined by comparing HRTEM images with computer calculated structures and simulated images. An irregular core structure was found in the (410) boundary when its misorientation deviated 2° from the exact Σ17 misorientation.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 357: Symposium C – Structure and Properties of Interfaces in Ceramics , 1994 , 127
Copyright
Copyright © Materials Research Society 1995

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References

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