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Structural properti...
Structural properties of amorphous metal carbides : Theory and experiment
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- Kadas, Krisztina (author)
- Uppsala universitet,Materialteori
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- Andersson, Matilda (author)
- Uppsala universitet,Oorganisk kemi
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Holmström, Erik (author)
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Wende, Heiko (author)
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- Karis, Olof (author)
- Uppsala universitet,Yt- och gränsskiktsvetenskap
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- Urbonaite, Sigita (author)
- Uppsala universitet,Strukturkemi
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- Butorin, Sergei M. (author)
- Uppsala universitet,Mjukröntgenfysik
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Nikitenko, Sergey (author)
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Kvashnina, Kristina O. (author)
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- Jansson, Ulf, 1960- (author)
- Uppsala universitet,Oorganisk kemi
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- Eriksson, Olle (author)
- Uppsala universitet,Materialteori
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(creator_code:org_t)
- Elsevier BV, 2012
- 2012
- English.
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In: Acta Materialia. - : Elsevier BV. - 1359-6454 .- 1873-2453. ; 60:12, s. 4720-4728
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http://arxiv.org/pdf...
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https://urn.kb.se/re...
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https://doi.org/10.1...
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Abstract
Subject headings
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- By means of theoretical modeling and experimental synthesis and characterization, we investigate the structural properties of amorphous Zr-Si-C. Two chemical compositions are selected: Zr0.31Si0.29C0.40 and Zr0.60Si0.33C0.07. Amorphous structures are generated in the theoretical part of our work by the stochastic quenching (SQ) method, and detailed comparison is made regarding the structure and density of the experimentally synthesized films. These films are analyzed experimentally using X-ray absorption spectroscopy, transmission electron microscopy and X-ray diffraction. Our results demonstrate a remarkable agreement between theory and experiment concerning bond distances and atomic coordination of this complex amorphous metal carbide. The demonstrated power of the SQ method opens up avenues for theoretical predictions of amorphous materials in general.
Subject headings
- NATURVETENSKAP -- Kemi -- Oorganisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Inorganic Chemistry (hsv//eng)
Keyword
- Amorphous materials
- Ab initio calculations
- X-ray absorption spectroscopy
- Metal carbide glasses
- Atomic structure
- Kemi med inriktning mot oorganisk kemi
- Chemistry with specialization in Inorganic Chemistry
Publication and Content Type
- ref (subject category)
- art (subject category)
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- By the author/editor
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Kadas, Krisztina
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Andersson, Matil ...
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Holmström, Erik
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Wende, Heiko
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Karis, Olof
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Urbonaite, Sigit ...
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show more...
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Butorin, Sergei ...
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Nikitenko, Serge ...
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Kvashnina, Krist ...
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Jansson, Ulf, 19 ...
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Eriksson, Olle
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show less...
- About the subject
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- NATURAL SCIENCES
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NATURAL SCIENCES
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and Chemical Science ...
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and Inorganic Chemis ...
- Articles in the publication
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Acta Materialia
- By the university
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Uppsala University