ab initio modeling, vanadium carbide, interphase boundary, solution energy, binding energy
Abstract
Experimental studies have shown that the precipitation of vanadium carbide significantly increases the hardness of steels. However, little is known about the process itself. The article presents the calculations of a number of energy parameters within the framework of density functional theory. This allows us to understand the formation of vanadium carbides and to describe the energy of their boundary with the ferrite phase.
Author Biographies
Aleksandr Aminulaevich Mirzoev, South Ural State University, Chelyabinsk
Dr. Sc. (Physics and Mathematics), Professor, Physics of Nanoscale Systems Department
Anastasiia Vladimirovna Verkhovykh, South Ural State University, Chelyabinsk
Cand. Sc. (Physics and Mathematics), Associate Professor, Physics of Nanoscale System Department
