کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1558958 | 1513825 | 2012 | 7 صفحه PDF | دانلود رایگان |
The Ge–Sc system is assessed by means of CALPHAD (CALculation of PHAse Diagram) approach, supplemented with decisive experiments and enthalpies of formation computed via first-principles calculations. Ten Ge–Sc alloys are prepared by arc melting the pure elements. The annealed samples are analyzed by means of X-ray diffraction, scanning electron microscopy with energy-dispersive X-ray spectrometry, electronic probe microanalysis and differential thermal analysis. Five compounds (ScGe2, ScGe, Sc11Ge10, Sc5Ge4 and Sc5Ge3) are observed in the equilibrium condition, and their enthalpies of formation at 0 K are computed via first-principles calculations to supply the necessary thermodynamic data for the modeling. A set of self-consistent thermodynamic parameters for the Ge–Sc system is finally obtained. The calculated results show a good agreement with the experimental data.
► The phase diagram of the Ge–Sc system was determined via key experiments by means of XRD, SEM/EDX, EPMA and DTA.
► The enthalpy of formation for all compounds in the Ge–Sc system was computed via the first-principles calculations.
► An optimal set of thermodynamic parameters was obtained.
Journal: Calphad - Volume 37, June 2012, Pages 18–24