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Thermodynamic Asses...
Thermodynamic Assessment of the Cu-B System Supported by Key Experiment and First-Principles Calculations
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Zhang, Wei-Wei (author)
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Du, Yong (author)
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Xu, Honghui (author)
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- Xiong, Wei (author)
- KTH,Termodynamisk modellering
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Kong, Yi (author)
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Sun, Weihua (author)
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Pan, Fusheng (author)
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Tang, Aitao (author)
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(creator_code:org_t)
- 2009-07-07
- 2009
- English.
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In: Journal of Phase Equilibria and Diffusion. - : Springer Science and Business Media LLC. - 1547-7037 .- 1863-7345. ; 30:5, s. 480-486
- Related links:
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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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- The Cu-B system was investigated via a hybrid approach of key experiment and thermodynamic modeling. Based on the critically assessed Cu-B phase diagram, seven crucial alloys were selected and prepared by arc melting the pure elements. An inductively coupled plasma-atomic emission spectrometric analysis was conducted to determine the compositions of the prepared alloys. The phase equilibria were determined by using x-ray diffraction, electron probe microanalysis, and differential thermal analysis. The temperature associated with the eutectic reaction, L double left right arrow (B) + (Cu); was measured to be 1028 +/- 2 degrees C. First-principles calculations indicate that the energy of inserting a B atom into the interstitial vacancy (Va) site of the lattice for Cu atoms is marginally lower than that of substituting for a Cu atom with a B atom. Consequently, the sublattice model (Cu)(B, Va) in which B atoms occupy the interstitial sites was employed for the fcc (Cu) phase rather than the model (Cu, B)(Va) in which B atoms substitute for Cu atoms. A thermodynamic modeling of the Cu-B system was then performed by considering the reliable literature data and the present experimental results. A good agreement between modeling and experiment was obtained.
Subject headings
- TEKNIK OCH TEKNOLOGIER -- Materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering (hsv//eng)
Keyword
- Cu-B
- first-principles calculation
- phase diagram
- thermal analysis
- thermodynamic assessment
- Materials science
- Teknisk materialvetenskap
Publication and Content Type
- ref (subject category)
- art (subject category)
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