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cond-mat.mtrl-sci2026

A BRAVE Alloy Design Campaign (Bayesian Risk-aware Alloy discoVery and Exploration)

Mrinalini Mulukutla, Danial Khatamsaz, Trevor Hastings +23

In constrained alloy optimization, the compositions with the highest performance potential often reside at the boundary of phase stability -- where the risk of experimental failure…

cond-mat.mtrl-sci2025

Data Driven Insights into Composition Property Relationships in FCC High Entropy Alloys

Nicolas Flores, Daniel Salas Mula, Wenle Xu +15

Structural High Entropy Alloys (HEAs) are crucial in advancing technology across various sectors, including aerospace, automotive, and defense industries. However, the scarcity of…

cond-mat.mtrl-sci2025

Accelerated Multi-Objective Alloy Discovery through Efficient Bayesian Methods: Application to the FCC Alloy Space

Trevor Hastings, Mrinalini Mulukutla, Danial Khatamsaz +14

This study introduces BIRDSHOT, an integrated Bayesian materials discovery framework designed to efficiently explore complex compositional spaces while optimizing multiple material…

cond-mat.mtrl-sci2025

Compositionally Grading Alloy Stacking Fault Energy using Autonomous Path Planning and Additive Manufacturing with Elemental Powders

James Hanagan, Nicole Person, Daniel Salas +8

Compositionally graded alloys (CGAs) are often proposed for use in structural components where the combination of two or more alloys within a single part can yield substantial enha…

cond-mat.mtrl-sci2024

Illustrating an Effective Workflow for Accelerated Materials Discovery

Mrinalini Mulukutla, A. Nicole Person, Sven Voigt +26

Algorithmic materials discovery is a multi-disciplinary domain that integrates insights from specialists in alloy design, synthesis, characterization, experimental methodologies, c…

cond-mat.mtrl-sci2024

Two-Shot Optimization of Compositionally Complex Refractory Alloys

James D. Paramore, Brady G. Butler, Michael T. Hurst +10

In this paper, a synergistic computational/experimental approach is presented for the rapid discovery and characterization of novel alloys within the compositionally complex (i.e.,…