Formation of defect phases on surfaces of Ni(+X) alloys in corrosive environments (B04)

• Subject Area: Computer-Aided Design of Materials and Simulation of Materials Behaviour from Atomic to Microscopic Scale
• Term: since 2020
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 409476157

Project B04 aims to understand the influence of alloying elements and structural defects on the corrosion behaviour of Ni-X alloys at the atomic scale using density functional theory, thermodynamic and statistical modelling. In project B04, Ni-Cu and Ni-Nb solid solutions as well as the intermetallic Ni6Nb7 phase will be investigated in dry and wet environments. A special focus will be on the formation of surface defect phases and the generation of Pourbaix diagrams.

• DFG Programme: Collaborative Research Centres
• Subproject of: SFB 1394: Structural and Chemical Atomic Complexity: From Defect Phase Diagrams to Material Properties
• Applicant Institution: Rheinisch-Westfälische Technische Hochschule Aachen
• Project Head: Dr. Mira Todorova