A comparison of Redlich-Kister polynomial and cubic spline representations of the chemical potential in phase field computations

•Free energies play a central role in many descriptions of the physics of solids.•Redlich-Kister polynomials can require high order terms to fit chemical potentials.•Spline functions of much lower degrees provide equal or superior fits.•Solution times using splines gave approximately an order of mag...

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Veröffentlicht in:	Computational materials science 2017-02, Vol.128, p.127-139
Hauptverfasser:	Teichert, Gregory H., Gunda, N.S. Harsha, Rudraraju, Shiva, Natarajan, Anirudh Raju, Puchala, Brian, Garikipati, Krishna, Van der Ven, Anton
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical potential Computation Free energy Mathematical analysis Mathematical models Partial differential equations Phase transformation Polynomials Representations Spinodal decomposition
Online-Zugang:	Volltext
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