ICP Kolloquium: Prof. Dr. Marco Ellero

June 30, 2025

Multiscale Simulations of Polymeric Fluids using Lagrangian Micro-Macro methods and Data-Driven Machine Learning Approaches

Time: June 30, 2025
Lecturer: Prof. Dr. Marco Ellero
Meeting mode: in presence
Venue: ICP
Seminarraum
1.079
Allmandring 3
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Prof. Dr. Marco Ellero
CFD Modelling and Simulation Group
BCAM – Basque Center for Applied Mathematics, Spain

"Multiscale Simulations of Polymeric Fluids using Lagrangian Micro-Macro methods and Data-Driven Machine Learning Approaches"

Abstract:

In the first part of this talk, I will present the Lagrangian Heterogeneous Multiscale Method (LHMM) for brute-force micro-macro simulations of polymeric fluids [1]. LHMM combines Dissipative Particle Dynamics (DPD) and Smoothed Particle Hydrodynamics (SPH) in a concurrent fashion. Thanks to its fully Lagrangian coupling, LHMM overcomes the limitations of traditional Eulerian-based HMM approaches, particularly in capturing long-memory effects and history-dependent behaviors in complex fluids. An illustrative example of a complex macroscopic flow at the continuum level will be provided. In the second part, I will introduce a machine learning-based acceleration strategy for performing continuum-level flow simulations directly from microstructural data [2]. This novel framework leverages Physics-Informed Neural Networks (PINNs) to uncover the entropic contributions that give rise to the constitutive equation for the extra stress in rheological models of polymer solutions. The neural network is trained using an evolution equation for the conformation tensor that is GENERIC-compliant. I will present preliminary results trained on synthetic data generated by an analytical model (Oldroyd-B), used as a blind test to evaluate the accuracy and robustness of the proposed GENERIC-PINN framework for viscoelastic flows.

[1] "Generalized Lagrangian heterogeneous multiscale modelling of complex fluids", N Moreno, M Ellero, J. Fluid Mechanics 969, A2 (2023).
[2] "Hammering at the entropy: A GENERIC-guided approach to learning polymeric rheological constitutive equations using PINNs", DN Simavilla, A Bonfanti, IG de Beristain, P Español, M Ellero, J. Fluid Mechanics in press (2025). arXiv:2409.07545

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