Fraunhofer Institute for Mechanics of Materials IWM
Relationship between molecular structure and friction derived from combined experiments and tribochemical simulations of organic friction modifiers.
Through statistical analysis of simulation and experimental data, we link macroscopic properties such as friction, viscosity, lubricant degradation or surface adsorption to the chemical and geometric structure of surfaces and molecules. The structure-property relationships obtained in this way enable design processes, support the search for alternatives to critical chemical compounds and form the basis for numerical predictive models.
- Automated screening: implementation of workflows for the automated calculation of sliding interfaces under varying load parameters, supported by state-of-the-art ML methods to reduce computational effort
- Development of concepts for real-time monitoring of lubricant systems through automated data analysis and prediction of lubricant behaviour
- Investigation of correlations between
- Surface structure and friction
- Molecular structure and diffusion/viscosity
- Molecular structure and degradation or oxidation processes
- Design of surface roughness and chemistry to optimize hydrophobicity, adhesion, dry friction and hydrogen compatibility
- Data-driven high-throughput workflows for the identification of suitable substitutes for harmful substances such as PFAS