Calculations of thermodynamic and mechanical properties of defected or non-crystalline bulk structure simulations benefit from the level of accuracy permitted by density functional theory (DFT) …
Advanced high strength steels with a lath martensitic microstructure (MS-AHSS) and tensile strengths > 1 GPa are of interest for automotive applications but are susceptible to …
A thorough understanding of the properties of oxides, including the formation of oxygen vacancy, surface termination, and an interface between oxide and metal, can benefit …