4.7 Article

Interpolation and extrapolation with the CALPHAD method

期刊

JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY
卷 35, 期 9, 页码 2115-2120

出版社

JOURNAL MATER SCI TECHNOL
DOI: 10.1016/j.jmst.2019.05.016

关键词

CALPHAD; Interpolation; Extrapolation; Gibbs energy

资金

  1. National Natural Science Foundation of China [51671118, 51871143]
  2. Young Elite Scientists Sponsorship Program by CAST [2017QNRC001]
  3. Chenguang project - Shanghai Municipal Education Commission [17CG42]
  4. Chenguang project - Shanghai Education Development Foundation [17CG42]
  5. Science and Technology Committee of Shanghai [16520721800]
  6. Aeronautical Science Fund Integrated computational research of the additive manufacturing for ultra-high strength Ti alloys [2017ZF25022]

向作者/读者索取更多资源

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. (C) 2019 Published by Elsevier Ltd on behalf of The editorial office of Journal of Materials Science & Technology.

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