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Sökning: onr:"swepub:oai:DiVA.org:kth-30413" > Thermodynamic Asses...

Thermodynamic Assessment of the Cu-B System Supported by Key Experiment and First-Principles Calculations

Zhang, Wei-Wei (författare)
Du, Yong (författare)
Xu, Honghui (författare)
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Xiong, Wei, (författare)
KTH, Termodynamisk modellering
Kong, Yi (författare)
Sun, Weihua (författare)
Pan, Fusheng (författare)
Tang, Aitao (författare)
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2009
Engelska.
Ingår i: Journal of Phase Equilibria and Diffusion. - 1547-7037. ; 30:5, s. 480-486
  • Tidskriftsartikel (refereegranskat)
Abstract Ämnesord
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  • <p>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.</p>

Ämnesord

TEKNIK OCH TEKNOLOGIER  -- Materialteknik (hsv//swe)
ENGINEERING AND TECHNOLOGY  -- Materials Engineering (hsv//eng)

Nyckelord

Cu-B
first-principles calculation
phase diagram
thermal analysis
thermodynamic assessment
TECHNOLOGY Materials science
TEKNIKVETENSKAP Teknisk materialvetenskap

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