Orientation-Dependent Interfacial Stability and Elastic Anisotropy of α-Fe/Fe3C: A First-Principles Study
Cementite (Fe3C) plays a key role in determining the mechanical performance of pearlitic and heat-resistant steels, where both its intrinsic elastic properties and interfacial bonding with ferrite are critical. In this study, first-principles calculations based on density functional theory were employed to systematical...