:Interpolation and extrapolation with the CALPHAD method论文

:Interpolation and extrapolation with the CALPHAD method论文

本文主要研究内容

作者(2019)在《Interpolation and extrapolation with the CALPHAD method》一文中研究指出:It is widely reported that CALPHAD is an extrapolation method when the thermodynamic properties of a multicomponent system are approximated by its subsystems. In this work the meaning of the words extrapolation and interpolation is discussed in context of the CALPHAD method. When assessing the properties in binary and ternary systems, extrapolation method is indeed often used. However, after assessment, the Gibbs energies are in fact interpolated from the lower order systems into the higher order systems in the compositional space. The metastable melting temperatures of bcc and hcp in Re–W and the liquid miscibility gap in Mg–Zr system are predicted to illustrate the difference between interpolation and extrapolation.

Abstract

It is widely reported that CALPHAD is an extrapolation method when the thermodynamic properties of a multicomponent system are approximated by its subsystems. In this work the meaning of the words extrapolation and interpolation is discussed in context of the CALPHAD method. When assessing the properties in binary and ternary systems, extrapolation method is indeed often used. However, after assessment, the Gibbs energies are in fact interpolated from the lower order systems into the higher order systems in the compositional space. The metastable melting temperatures of bcc and hcp in Re–W and the liquid miscibility gap in Mg–Zr system are predicted to illustrate the difference between interpolation and extrapolation.

论文参考文献

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