Materials Science and Engineering Commons^™

First-Principles Investigations Of Iron-Based Alloys And Their Properties, Krista Renee Limmer

Doctoral Dissertations

"Fundamental understanding of the complex interactions governing structure-property relationships in iron-based alloys is necessary to advance ferrous metallurgy. Two key components of alloy design are carbide formation and stabilization and controlling the active deformation mechanism. Following a first-principles methodology, understanding on the electronic level of these components has been gained for predictive modeling of alloys.

Transition metal carbides have long played an important role in alloy design, though the complexity of their interactions with the ferrous matrix is not well understood. Bulk, surface, and interface properties of vanadium carbide, VC_x, were calculated to provide insight for the carbide …