2 papers
cond-mat.mtrl-sci2024
Fracture Characteristics of Rare-earth Phosphate under Molten Calcium Magnesium Aluminosilicate Corrosion
Subrato Sarkar, Rahul Rahul, Bishnu Pada Majee +5
The fracture characteristics of LuPO4 rare-earth phosphate environmental barrier coating (EBC) material under molten calcium-magnesium aluminosilicate (CMAS) corrosion is quantifie…
cond-mat.mtrl-sci2023
First-principles molten salt phase diagrams through thermodynamic integration
Tanooj Shah, Kamron Fazel, Jie Lian +3
Precise prediction of phase diagrams in molecular dynamics (MD) simulations is challenging due to the simultaneous need for long time scales, large length scales and accurate inter…