Project Details
Probe Liquid Shear Viscosity from Newtonian to Shear-Thinning Regime
Applicant
Dr. Hongyu Gao
Subject Area
Fluid Mechanics
Computer-Aided Design of Materials and Simulation of Materials Behaviour from Atomic to Microscopic Scale
Computer-Aided Design of Materials and Simulation of Materials Behaviour from Atomic to Microscopic Scale
Term
since 2024
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 555226095
This research aims to pioneer advanced computational protocols for refining predictions of shear viscosity in liquid lubricants operating within the elastohydrodynamic regime as well as the boundary lubrication regime. The accurate characterization of Newtonian and non-Newtonian (specifically shear-thinning) behaviors holds paramount importance for the tribology community and the lubrication industry. Addressing challenges in high strain-rate measurements, often affected by thermal heating, is crucial for practical applications. By integrating non-equilibrium molecular dynamics (NEMD) simulations and machine learning (ML) techniques, this research endeavors to unravel the intricate interplay of hydrostatic pressure, temperature, and chemical composition. The resulting repository of data, readily accessible and continuously expanding, will enable rapid estimations empowered by AI-driven algorithms. The study aims to provide atomistic insights into the origins of shear-thinning, focusing on variations in steric hinderance induced activation energy barriers and molecular conformation in response to volume expansion. This comprehensive approach seeks to establish robust predictive models, innovate lubricant design methodologies, and contribute insights to the fields of tribology and materials engineering.
DFG Programme
Research Grants
International Connection
Ireland, USA
Co-Investigators
Nicolay Garabedian, Ph.D.; Professor Dr.-Ing. Max Marian; Professor Dr. Martin Müser; Sergey Sukhomlinov
Cooperation Partners
Robert Carpick; Dr. Graham Cross