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

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QC 20110301 14th National Conference and Multilateral Symposium on Phase Diagrams and Materials Design held in Honor of Jin Zhanpeng Changsha, PEOPLES R CHINA, NOV 02-05, 2008
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.

Ingår i:Journal of Phase Equilibria and Diffusion: Springer Science and Business Media LLC30:5, s. 480-4861547-70371863-7345

Av författaren/redakt...: Zhang, Wei-Wei; Du, Yong; Xu, Honghui; Xiong, Wei; Kong, Yi; Sun, Weihua; visa fler...; Pan, Fusheng; Tang, Aitao; visa färre...

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