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Elucidating disloca...
Elucidating dislocation core structures in titanium nitride through high-resolution imaging and atomistic simulations
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- Salamania, Janella, 1992- (author)
- Linköpings universitet,Nanostrukturerade material,Tekniska fakulteten
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- Sangiovanni, Davide Giuseppe, 1979- (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten
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- Kraych, A. (author)
- The Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr-Universität Bochum, Bochum, Germany
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- Calamba Kwick, K.M. (author)
- Sandvik Coromant AB, Stockholm, Sweden
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- Schramm, I.C. (author)
- Sandvik Coromant AB, Stockholm, Sweden
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- Johnson, L.J.S. (author)
- Sandvik Coromant AB, Stockholm, Sweden
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- Boyd, Robert, 1972- (author)
- Linköpings universitet,Plasma och ytbeläggningsfysik,Tekniska fakulteten
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- Bakhit, Babak, 1983- (author)
- Linköpings universitet,Tunnfilmsfysik,Tekniska fakulteten
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- Hsu, Tun-Wei, 1991- (author)
- Linköpings universitet,Nanostrukturerade material,Tekniska fakulteten
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- Mrovec, M. (author)
- The Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr-Universität Bochum, Bochum, Germany
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- Rogström, Lina, 1983- (author)
- Linköpings universitet,Nanostrukturerade material,Tekniska fakulteten
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- Tasnadi, Ferenc, 1975- (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten
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- Abrikosov, Igor A., Professor, 1965- (author)
- Linköpings universitet,Teoretisk Fysik,Tekniska fakulteten
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- Odén, Magnus, 1965- (author)
- Linköpings universitet,Nanostrukturerade material,Tekniska fakulteten
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(creator_code:org_t)
- Elsevier, 2022
- 2022
- English.
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In: Materials & design. - : Elsevier. - 0264-1275 .- 1873-4197. ; 224
- Related links:
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https://liu.diva-por... (primary) (Raw object)
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
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- Although titanium nitride (TiN) is among the most extensively studied and thoroughly characterizedthin-film ceramic materials, detailed knowledge of relevant dislocation core structures is lacking. Byhigh-resolution scanning transmission electron microscopy (STEM) of epitaxial single crystal (001)-oriented TiN films, we identify different dislocation types and their core structures. These include, besidesthe expected primary a/2{110}h110i dislocation, Shockley partial dislocations a/6{111}h112i and sessileLomer edge dislocations a/2{100}h011i. Density-functional theory and classical interatomic potentialsimulations complement STEM observations by recovering the atomic structure of the different disloca-tion types, estimating Peierls stresses, and providing insights on the chemical bonding nature at the core.The generated models of the dislocation cores suggest locally enhanced metal–metal bonding, weakenedTi-N bonds, and N vacancy-pinning that effectively reduces the mobilities of {110}h110i and {111}h112idislocations. Our findings underscore that the presence of different dislocation types and their effects onchemical bonding should be considered in the design and interpretations of nanoscale and macroscopicproperties of TiN.
Subject headings
- TEKNIK OCH TEKNOLOGIER -- Materialteknik -- Annan materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering -- Other Materials Engineering (hsv//eng)
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- ref (subject category)
- art (subject category)
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- By the author/editor
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Salamania, Janel ...
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Sangiovanni, Dav ...
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Kraych, A.
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Calamba Kwick, K ...
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Schramm, I.C.
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Johnson, L.J.S.
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Boyd, Robert, 19 ...
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Bakhit, Babak, 1 ...
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Hsu, Tun-Wei, 19 ...
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Mrovec, M.
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Rogström, Lina, ...
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Tasnadi, Ferenc, ...
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Abrikosov, Igor ...
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Odén, Magnus, 19 ...
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- About the subject
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- ENGINEERING AND TECHNOLOGY
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ENGINEERING AND ...
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and Materials Engine ...
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and Other Materials ...
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Materials & desi ...
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Linköping University