Engineering and Technologynpj Computational Materials
Specialising neural network potentials for accurate properties and application to the mechanical response of titanium
T. Wen, R. Wang, et al.
This research by Tongqi Wen, Rui Wang, Lingyu Zhu, Linfeng Zhang, Han Wang, David J. Srolovitz, and Zhaoxuan Wu showcases a groundbreaking methodology for optimizing machine learning potentials to accurately simulate complex mechanical behaviors in titanium. By focusing on the HCP and BCC allotropes, the study delivers high-fidelity predictions that could transform our understanding of material science.
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