4 papers · 1 filter
Chemically tailored planar defect phases in the Ta-Fe μ-phase
Christina Gasper, Nisa Ulumuddin, Siyuan Zhang +5
Intermetallics often exhibit complex crystal structures, which give rise to intricate defect structures that critically influence their mechanical and functional properties. Despit…
First-Principles Insights into the Site Occupancy of Ta-Fe-Al C14 Laves Phases
Nisa Ulumuddin, Sandra Korte-Kerzel, Zhuocheng Xie
This study investigates the site occupancy preferences of Al in Ta(FeAl) Laves phases using first-principles calculations, covering Al concentrations from 0 to 50 a…
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…
Solute Co-Segregation Mechanisms at Low-Angle Grain Boundaries in Magnesium: A Combined Atomic-Scale Experimental and Modeling Study
Risheng Pei, Joé Petrazoller, Achraf Atila +10
Solute segregation at low-angle grain boundaries (LAGBs) critically affects the microstructure and mechanical properties of magnesium (Mg) alloys. In modern alloys containing multi…