Predicting Grain Boundary Segregation in Magnesium Alloys: An Atomistically Informed Machine Learning Approach

Zhuocheng Xie, Achraf Atila, Julien Guénolé +3

Grain boundary (GB) segregation in magnesium (Mg) substantially influences its mechanical properties and performance. Atomic-scale modelling, typically using ab-initio or semi-empi…