Journal
ACTA MATERIALIA
Volume 118, Issue -, Pages 286-295Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2016.07.035
Keywords
Atomistic simulations; Dislocation structure; Grain-boundary structure; Perovskites; Strontium titanate
Funding
- German Science Foundation (DFG) [SFB 917]
Ask authors/readers for more resources
The structural properties of symmetrical low-angle [100] (01l) tilt grain boundaries in the perovskite oxide SrTiO3 were investigated by empirical pair potentials and energy minimisation techniques. Thirteen interfaces with misorientation angles varying between theta = 3 degrees and theta = 22.6 degrees were studied in both stoichiometric and oxygen deficient forms. Examination of the relaxed simulation cells indicated that all the studied grain boundaries consisted of some combination of two different types of dislocation core. The structures of the two types of dislocation core remain unchanged at low misorientation angles but become increasingly distorted at the highest angles examined. Simple rules were derived to predict the type, arrangement and alignment of the dislocations at a given interface. (C) 2016 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available