About this Abstract |
Meeting |
2nd World Congress on High Entropy Alloys (HEA 2021)
|
Symposium
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2nd World Congress on High Entropy Alloys (HEA 2021)
|
Presentation Title |
High-throughput First-principles Design and Screening of Additively Manufactured Corrosion-resistant HEA |
Author(s) |
Santanu Chaudhuri, Dan Thoma, Xiaoli Yan, Phalgun Nelaturu, Thien Duong, Pikee Priya |
On-Site Speaker (Planned) |
Pikee Priya |
Abstract Scope |
The composition space of high-entropy alloys is increasing in complexity. It is hard to mine for meaningful correlations in corrosion vulnerability. We made progress in first principles estimation of phase stability in high temperatures, the free-energy of corrosion reactions, and work-function based analysis of corrosion vulnerability. Additively manufactured HEAs provide an exciting experimental high-throughput screening route when coupled to CALPHAD modeling to reduce the size of possible compositions. We will discuss our closed-loop approach between our model and printing for the design of experiments. Our inputs from calculated data are surface energy, work-function, mobility, and stability of the phases. A combined Bayesian uncertainty quantification for predicting a single-phase alloy, corrosion vulnerability, and printing conditions can provide valuable insight for alloy design. In addition, we will discuss work-function and hardness correlations for Fe-Ni-Mn-Cr HEAs. |
Proceedings Inclusion? |
Undecided |