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.
Recommended Citation
S. Divilov and H. Eckert and C. Toher and R. Friedrich and A. C. Zettel and D. W. Brenner and W. G. Fahrenholtz and D. E. Wolfe and E. Zurek and J. P. Maria and N. Hotz and X. Campilongo and S. Curtarolo, "A Priori Procedure To Establish Spinodal Decomposition In Alloys," Acta Materialia, vol. 266, article no. 119667, Elsevier; Acta Materialia, Mar 2024.
The definitive version is available at https://doi.org/10.1016/j.actamat.2024.119667
Department(s)
Materials Science and Engineering
Keywords and Phrases
Spinodal decomposition
International Standard Serial Number (ISSN)
1359-6454
Document Type
Article - Journal
Document Version
Citation
File Type
text
Language(s)
English
Rights
© 2024 Elsevier; Acta Materialia, All rights reserved.
Publication Date
01 Mar 2024
Comments
National Science Foundation, Grant DGE-2022040