Bayesian exploration of the composition space of CuZrAl metallic glasses for mechanical properties

Abstract Designing metallic glasses in silico is a major challenge in materials science given their disordered atomic structure and the vast compositional space to explore. Here, we tackle this challenge by finding optimal compositions for target mechanical properties. We apply Bayesian exploration...

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Bibliographic Details
Main Authors: Tero Mäkinen, Anshul D. S. Parmar, Silvia Bonfanti, Mikko J. Alava
Format: Article
Language:English
Published: Nature Portfolio 2025-04-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-025-01591-9
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