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Article
A Priori Procedure To Establish Spinodal Decomposition In Alloys
Acta Materialia
  • Simon Divilov
  • Hagen Eckert
  • Cormac Toher
  • Rico Friedrich
  • Adam C. Zettel
  • Donald W. Brenner
  • William G. Fahrenholtz, Missouri University of Science and Technology
  • Douglas E. Wolfe
  • Eva Zurek
  • Jon Paul Maria
  • Nico Hotz
  • Xiomara Campilongo
  • Stefano Curtarolo
Abstract

Spinodal decomposition can improve a number of essential properties in materials, especially hardness. Yet, the theoretical prediction of the onset of this phenomenon (e.g., temperature) and its microstructure (e.g., wavelength) often requires input parameters coming from costly and time-consuming experimental efforts, hindering rational materials optimization. Here, we present a procedure where such parameters are not derived from experiments. First, we calculate the spinodal temperature by modeling nucleation in the solid solution while approaching the spinode boundary. Then, we compute the spinodal wavelength self-consistently using a few reasonable approximations. Our results show remarkable agreement with experiments and, for NiRh, the calculated yield strength due to spinodal microstructures surpasses even those of Ni-based superalloys. We believe that this procedure will accelerate the exploration of the complex materials experiencing spinodal decomposition, critical for their macroscopic properties.

Department(s)
Materials Science and Engineering
Comments

National Science Foundation, Grant DGE-2022040

Keywords and Phrases
  • Spinodal decomposition
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2024 Elsevier; Acta Materialia, All rights reserved.
Publication Date
3-1-2024
Publication Date
01 Mar 2024
Disciplines
Citation Information
Simon Divilov, Hagen Eckert, Cormac Toher, Rico Friedrich, et al.. "A Priori Procedure To Establish Spinodal Decomposition In Alloys" Acta Materialia Vol. 266 (2024) ISSN: 1359-6454
Available at: http://works.bepress.com/william-fahrenholtz/355/