Project 3
GB Segregation and Chemical Ordering in High-Entropy Alloys (HEAs)
• Conducted a combination of Molecular Statics (MS), MD and Monte Carlo (MC) types of simulations in LAMMPS to investigate the elemental GB segregation behavior of HEAs.
• Explored the effect of misorientation of asymmetric tilt GB and thermal segregation of HEAs.
• Identified the positive impact of elemental segregation around GBs, which can be tailored to design and produce new HEAs with advanced mechanical properties.