Uncertainty Quantification in Masses of Alloy Components and Atomic Radii Modification in High-Entropy Alloys Design: Thermophysical Parameters Calculation Approach

Autor(es)

Raphael Basilio Pires Nonato ; Thomaz Augusto Guisard Restivo ^[2] ; José Carlos Machado Junior ^[3]

• Tipo de documento: Artigo Científico
• Fonte: MATERIALS RESEARCH-IBERO-AMERICAN JOURNAL OF MATERIALS; v. 28, 2025-03-14.

Resumo

Given the vast universe of high-entropy alloys (HEAs), solid solution formation (SSF) prediction is increasingly relevant. The processing route leads to uncertainty in the mass of each alloy component, affecting SSF. Furthermore, investigations led to atomic radius modification under interaction with neighboring atoms, also influencing SSF. Therefore, this paper presents an uncertainty quantification framework implemented over the thermophysical parameters calculation (TPC) approach to verify the behavior of the SSF parameters as the mass of the alloy components vary and the atomic radii are modified. The AlCrFeMoNbTaTiVW alloy was subjected to this framework, being the tungsten mass the most influential, and tantalum the less influential overall. Moreover, the atomic radii modification does not work properly under TPC theory, implying in non-SSF prediction even when a solid solution is formed. Thenceforth, equimolar HEAs are now near-equimolar, and the SSF parameters may indicate that some samples of the same alloy batch may result in SSF, others not. (AU)

• Processo FAPESP: 23/09818-8 - Desenvolvimento de produtos e processos via metalurgia do pó de ligas diamante metálico
• Beneficiário: Thomaz Augusto Guisard Restivo
• Modalidade de apoio: Auxílio à Pesquisa - Pesquisa Inovativa em Pequenas Empresas - PIPE