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Article
Thermodynamic Analysis Of Metal Segregation In Dual Phase High Entropy Ceramics
Journal of Materiomics
  • Steven M. Smith
  • William G. Fahrenholtz, Missouri University of Science and Technology
  • Gregory E. Hilmas, Missouri University of Science and Technology
  • Stefano Curtarolo
Abstract

Equilibrium Gibbs' free energy calculations were used to determine metal segregation trends between boride and carbide solid solutions containing two metals that are relevant to dual phase high entropy ceramics. The model predicted that Ti had the strongest tendency to segregate to the boride phase followed by Zr, Nb, Mo, V, Hf, and Ta, which matches experimental results of measured compositions. The ratio of a metal in the carbide phase to the content of the same metal in the corresponding metal boride had a linear trend with the change in standard Gibbs' free energy of reaction for a metal carbide reacting with B4C to produce its corresponding metal boride and carbon. The proposed model was used to predict the changes in standard Gibbs' free energy for CrC→CrB2 to be −260 kJ and WC→WB2 to be 148 kJ, which indicates that Cr has the strongest segregation to the boride and W has the strongest segregation to the carbide. The proposed model can be used to estimate the segregation of metals in dual phase high entropy boride-carbide ceramics of any boride/carbide ratio or metal content.

Department(s)
Materials Science and Engineering
Publication Status
Open Access
Comments

Office of Naval Research, Grant N00014-21-1-2515

Keywords and Phrases
  • Boride,
  • Carbide,
  • Dual phase,
  • High entropy ceramic,
  • Thermodynamics
Document Type
Article - Journal
Document Version
Final Version
File Type
text
Language(s)
English
Rights
© 2024 Elsevier, All rights reserved.
Creative Commons Licensing
Creative Commons Attribution-Noncommercial-No Derivative Works 4.0
Publication Date
1-1-2024
Publication Date
01 Jan 2024
Disciplines
Citation Information
Steven M. Smith, William G. Fahrenholtz, Gregory E. Hilmas and Stefano Curtarolo. "Thermodynamic Analysis Of Metal Segregation In Dual Phase High Entropy Ceramics" Journal of Materiomics (2024) ISSN: 2352-8486; 2352-8478
Available at: http://works.bepress.com/greg-hilmas/325/