Unraveling the phase transition mechanism of 1:1 stoichiometric AlCu alloy under high pressure: a combined DFT and machine learning study

Computational and Theoretical Chemistry 2026

View at publisher

Authors: Leilei Zhang, Shiping Huang, Yaru Wei, Ziyin Zhang, Zhengyan Gu, Baochen Yang

DOI: 10.1016/j.comptc.2026.115713

Cited by: 1

References: 37

Fields of Study & Subjects

Machine Learning in Materials Science Boron and Carbon Nanomaterials Research Microstructure and mechanical properties

References 37