Quantum-mechanically guided design of wear-resistant coatings for polymer moulding (A03)

• Subject Area: Computer-Aided Design of Materials and Simulation of Materials Behaviour from Atomic to Microscopic Scale
• Term: from 2010 to 2022
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 138690629

Based on combinatorial synthesis, characterisation, plasma-growth-correlations and density functional theory-calculations (chemical composition, point defect structure, density, stress) the design of M-Al-O-N (M = Ti, V, Cr) protective coatings for polymer moulding applications regarding the mechanical properties, phase stability and their interaction with molten polymer, particularly regarding the tool life determining degradation, will be enabled.

• DFG Programme: CRC/Transregios
• Subproject of: TRR 87: Pulsed High Power Plasmas for the Synthesis of Nanostructural Functional Layers
• Applicant Institution: Ruhr-Universität Bochum
• Project Heads: Professor Denis Music, Ph.D., until 8/2020; Professor Jochen M. Schneider, Ph.D.