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Title: Disconnections and other defects associated with twin interfaces

Authors:
; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1397372
Grant/Contract Number:
06SCPE401; W-7405-ENG-36
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Progress in Materials Science
Additional Journal Information:
Journal Volume: 83; Journal Issue: C; Related Information: CHORUS Timestamp: 2017-10-04 21:20:42; Journal ID: ISSN 0079-6425
Publisher:
Elsevier
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Hirth, J. P., Wang, J., and Tomé, C. N.. Disconnections and other defects associated with twin interfaces. United Kingdom: N. p., 2016. Web. doi:10.1016/j.pmatsci.2016.07.003.
Hirth, J. P., Wang, J., & Tomé, C. N.. Disconnections and other defects associated with twin interfaces. United Kingdom. doi:10.1016/j.pmatsci.2016.07.003.
Hirth, J. P., Wang, J., and Tomé, C. N.. Sat . "Disconnections and other defects associated with twin interfaces". United Kingdom. doi:10.1016/j.pmatsci.2016.07.003.
@article{osti_1397372,
title = {Disconnections and other defects associated with twin interfaces},
author = {Hirth, J. P. and Wang, J. and Tomé, C. N.},
abstractNote = {},
doi = {10.1016/j.pmatsci.2016.07.003},
journal = {Progress in Materials Science},
number = C,
volume = 83,
place = {United Kingdom},
year = {Sat Oct 01 00:00:00 EDT 2016},
month = {Sat Oct 01 00:00:00 EDT 2016}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1016/j.pmatsci.2016.07.003

Citation Metrics:
Cited by: 11works
Citation information provided by
Web of Science

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  • Interfacial defects may exhibit both dislocation and step-like character. The Burgers vector of such a defect is an invariant topological quantity which can be determined mathematically or graphically by circuit mapping. Step character cannot be determined directly by such methods, but a new definition of scalar step heights is presented here in terms of crystallographic parameters. This partition of a disconnection into dislocation and step portions facilitates the analysis of processes such as phase transformations; the dislocation and step portions facilitates the analysis of processes such as phase and the step portion with divergences in diffusional fluxes associated with growth.more » Examples are given in the h.c.p./f.c.c. case for various types of defect.« less
  • In nanocrystalline anatase coarsened under hydrothermal conditions (250 C, P{sub sat}), the anatase-to-rutile phase transformation is nucleated at anatase {l_brace}112{r_brace} twin boundaries formed by oriented attachment. The anatase twin boundary is constructed from structural elements common to rutile. Specifically, rutile nucleation involves displacement of only one half the titanium cations within the twin slab. Subsequent transformation of bulk anatase involves rupture of 7 of the 24 Ti-O bonds per unit cell and cooperative displacement of Ti and O. As the transformation advances into the bulk material, adjacent slabs of anatase octahedra are destabilized, resulting in rapid progression of the transformationmore » of bulk anatase to rutile. The implied chain reaction, scarcity of partly reacted crystals, absence of multiple twinned rutile, and the importance of nucleation at anatase twins indicate a rate law based on slow nucleation and rapid growth. The displacements are comparable to those proposed previously for macroscopic anatase at much higher temperatures, indicating the atomic mechanism is not modified by particle size or temperature, despite the rapid kinetics in finely crystalline aggregates. In addition to the formation of twins, clusters with rutile-like character may occur at some fraction of random anatase-anatase particle contacts. Such interfaces should result in decreased activation barriers for rutile nucleation and, thus, contribute significantly to the observed faster transformation rates in nanocrystalline compared to coarsely crystalline materials.« less