Computational Thermodynamics Aided High-Entropy Alloy Design

By Chuan Zhang, Fan Zhang, Shuang-Tin Chen, W. Cao. JOM, 2012

338 citations recorded by the source corpus.

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Exploration and Development of High Entropy Alloys for Structural Applications (2014, background): “With the currently available thermodynamic databases, published results often give poor agreement between predicted and observed phases, especially for compositions and volume fractions [61,80].”
High-Entropy Alloys: A Critical Review (2014, neutral): “a suitable database for multicomponent systems.[53]”
Atomic short-range order and incipient long-range order in high-entropy alloys (2015, methodology): “[55] using CALPHAD (calculations of phase diagram) techniques [56,57].”
A critical review of high entropy alloys and related concepts (2016, methodology): “In recent years, integration of the CALPHAD approach with key experiments has been demonstrated as an effective approach to determine complicated multi-component phase diagrams [37,50,56,125,172,173].”
Machine learning assisted design of high entropy alloys with desired property (2019, methodology): “Sever al efforts have been devoted to utilizing thermodynamic modeling, density functiona l theory (DFT) and molecular dynamics (MD) calculations to guide the alloy desig n.[16-22] For example, Miracle t”