Atomistic mechanisms of nonstoichiometry-induced twin boundary structural transformation in titanium dioxide
Grain boundary (GB) phase transformations often occur in polycrystalline materials while exposed to external stimuli and are universally implicated in substantially affecting their properties, yet atomic-scale knowledge on the transformation process is far from developed. In particular, whether GBs...
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| Published in | Nature communications Vol. 6; no. 1; p. 7120 |
|---|---|
| Main Authors | , , , , |
| Format | Journal Article |
| Language | English |
| Published |
London
Nature Publishing Group UK
11.05.2015
Nature Publishing Group Nature Pub. Group |
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| Abstract | Grain boundary (GB) phase transformations often occur in polycrystalline materials while exposed to external stimuli and are universally implicated in substantially affecting their properties, yet atomic-scale knowledge on the transformation process is far from developed. In particular, whether GBs loaded with defects due to treatments can still be conventionally considered as disordered areas with kinetically trapped structure or turn ordered is debated. Here we combine advanced electron microscopy, spectroscopy and first-principles calculations to probe individual TiO
2
GB subject to different atmosphere, and to demonstrate that stimulated structural defects can self-assemble at GB, forming an ordered structure, which results in GB nonstoichiometry and structural transformations at the atomic scale. Such structural transformation is accompanied with electronic transition at GB. The three-dimensional transformations afford new perspectives on the structural defects at GBs and on the development of strategies to manipulate practically significant GB transformations.
Grain boundaries in polycrystalline materials strongly influence their mechanical properties. Here, the authors investigate polycrystalline TiO
2
by high-resolution electron microscopy and observe that structural defects form ordered structures at grain boundaries influencing their properties. |
|---|---|
| AbstractList | Grain boundary (GB) phase transformations often occur in polycrystalline materials while exposed to external stimuli and are universally implicated in substantially affecting their properties, yet atomic-scale knowledge on the transformation process is far from developed. In particular, whether GBs loaded with defects due to treatments can still be conventionally considered as disordered areas with kinetically trapped structure or turn ordered is debated. Here we combine advanced electron microscopy, spectroscopy and first-principles calculations to probe individual TiO
2
GB subject to different atmosphere, and to demonstrate that stimulated structural defects can self-assemble at GB, forming an ordered structure, which results in GB nonstoichiometry and structural transformations at the atomic scale. Such structural transformation is accompanied with electronic transition at GB. The three-dimensional transformations afford new perspectives on the structural defects at GBs and on the development of strategies to manipulate practically significant GB transformations. Grain boundary (GB) phase transformations often occur in polycrystalline materials while exposed to external stimuli and are universally implicated in substantially affecting their properties, yet atomic-scale knowledge on the transformation process is far from developed. In particular, whether GBs loaded with defects due to treatments can still be conventionally considered as disordered areas with kinetically trapped structure or turn ordered is debated. Here we combine advanced electron microscopy, spectroscopy and first-principles calculations to probe individual TiO 2 GB subject to different atmosphere, and to demonstrate that stimulated structural defects can self-assemble at GB, forming an ordered structure, which results in GB nonstoichiometry and structural transformations at the atomic scale. Such structural transformation is accompanied with electronic transition at GB. The three-dimensional transformations afford new perspectives on the structural defects at GBs and on the development of strategies to manipulate practically significant GB transformations. Grain boundaries in polycrystalline materials strongly influence their mechanical properties. Here, the authors investigate polycrystalline TiO 2 by high-resolution electron microscopy and observe that structural defects form ordered structures at grain boundaries influencing their properties. Grain boundary (GB) phase transformations often occur in polycrystalline materials while exposed to external stimuli and are universally implicated in substantially affecting their properties, yet atomic-scale knowledge on the transformation process is far from developed. In particular, whether GBs loaded with defects due to treatments can still be conventionally considered as disordered areas with kinetically trapped structure or turn ordered is debated. Here we combine advanced electron microscopy, spectroscopy and first-principles calculations to probe individual TiO2 GB subject to different atmosphere, and to demonstrate that stimulated structural defects can self-assemble at GB, forming an ordered structure, which results in GB nonstoichiometry and structural transformations at the atomic scale. Such structural transformation is accompanied with electronic transition at GB. The three-dimensional transformations afford new perspectives on the structural defects at GBs and on the development of strategies to manipulate practically significant GB transformations. Grain boundary (GB) phase transformations often occur in polycrystalline materials while exposed to external stimuli and are universally implicated in substantially affecting their properties, yet atomic-scale knowledge on the transformation process is far from developed. In particular, whether GBs loaded with defects due to treatments can still be conventionally considered as disordered areas with kinetically trapped structure or turn ordered is debated. Here we combine advanced electron microscopy, spectroscopy and first-principles calculations to probe individual TiO2 GB subject to different atmosphere, and to demonstrate that stimulated structural defects can self-assemble at GB, forming an ordered structure, which results in GB nonstoichiometry and structural transformations at the atomic scale. Such structural transformation is accompanied with electronic transition at GB. The three-dimensional transformations afford new perspectives on the structural defects at GBs and on the development of strategies to manipulate practically significant GB transformations.Grain boundary (GB) phase transformations often occur in polycrystalline materials while exposed to external stimuli and are universally implicated in substantially affecting their properties, yet atomic-scale knowledge on the transformation process is far from developed. In particular, whether GBs loaded with defects due to treatments can still be conventionally considered as disordered areas with kinetically trapped structure or turn ordered is debated. Here we combine advanced electron microscopy, spectroscopy and first-principles calculations to probe individual TiO2 GB subject to different atmosphere, and to demonstrate that stimulated structural defects can self-assemble at GB, forming an ordered structure, which results in GB nonstoichiometry and structural transformations at the atomic scale. Such structural transformation is accompanied with electronic transition at GB. The three-dimensional transformations afford new perspectives on the structural defects at GBs and on the development of strategies to manipulate practically significant GB transformations. |
| ArticleNumber | 7120 |
| Author | Sun, Rong Shibata, Naoya Saito, Mitsuhiro Wang, Zhongchang Ikuhara, Yuichi |
| Author_xml | – sequence: 1 givenname: Rong surname: Sun fullname: Sun, Rong organization: Institute of Engineering Innovation, The University of Tokyo – sequence: 2 givenname: Zhongchang surname: Wang fullname: Wang, Zhongchang email: zcwang@wpi-aimr.tohoku.ac.jp organization: Advanced Institute for Materials Research, Tohoku University – sequence: 3 givenname: Mitsuhiro surname: Saito fullname: Saito, Mitsuhiro organization: Advanced Institute for Materials Research, Tohoku University – sequence: 4 givenname: Naoya surname: Shibata fullname: Shibata, Naoya organization: Institute of Engineering Innovation, The University of Tokyo – sequence: 5 givenname: Yuichi surname: Ikuhara fullname: Ikuhara, Yuichi email: ikuhara@sigma.t.u-tokyo.ac.jp organization: Institute of Engineering Innovation, The University of Tokyo, Advanced Institute for Materials Research, Tohoku University, Nanostructures Research Laboratory, Japan Fine Ceramics Center |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/25958793$$D View this record in MEDLINE/PubMed |
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| ContentType | Journal Article |
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| Snippet | Grain boundary (GB) phase transformations often occur in polycrystalline materials while exposed to external stimuli and are universally implicated in... |
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| SubjectTerms | 14/28 639/301/357/341 639/638/263/915 639/638/403/349 Development strategies Electrons Humanities and Social Sciences Microscopy multidisciplinary Point defects Science Science (multidisciplinary) Titanium dioxide |
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| Title | Atomistic mechanisms of nonstoichiometry-induced twin boundary structural transformation in titanium dioxide |
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