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Hammering at the entropy: a GENERIC-guided approach to learning polymeric rheological constitutive equations using PINNs

David Nieto Simavilla Orcid Logo, Andrea Bonfanti, Imanol García-Beristain, Pep Español, Marco Ellero

Journal of Fluid Mechanics, Volume: 1016, Start page: A11

Swansea University Author: Marco Ellero

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DOI (Published version): 10.1017/jfm.2025.10325

Abstract

We present a versatile framework that employs Physics-Informed Neural Networks (PINNs) to discover the entropic contribution that leads to the constitutive equation for the extra-stress in rheological models of dilute polymer solutions. In this framework the training of the neural network is guided...

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Published in: Journal of Fluid Mechanics
ISSN: 0022-1120 1469-7645
Published: Cambridge University Press (CUP) 2025
Online Access: Check full text

URI: https://cronfa.swan.ac.uk/Record/cronfa70050
Abstract: We present a versatile framework that employs Physics-Informed Neural Networks (PINNs) to discover the entropic contribution that leads to the constitutive equation for the extra-stress in rheological models of dilute polymer solutions. In this framework the training of the neural network is guided by an evolution equation for the conformation tensor, which is GENERIC-compliant. We compare two training methodologies for the data-driven PINN constitutive models: one trained on data from the analytical solution of the Oldroyd-B (OB) model under steady-state rheometric flows (PINN-rheometric), and another trained on in silico data generated from computational fluid dynamics (CFD) simulations of complex flow around a cylinder that use the OB model (PINN-complex). The capacity of the PINN models to provide good predictions is evaluated by comparison with CFD simulations using the underlying OB model as a reference. Both models are capable of predicting flow behaviour in transient and complex conditions; however, the PINN-complex model, trained on a broader range of mixed-flow data, outperforms the PINN-rheometric model in complex flow scenarios. The geometry agnostic character of our methodology allows us to apply the learned PINN models to flows with topologies different from those used for training.
Keywords: rheology, viscoelasticity, non-Newtonian flows
College: Faculty of Science and Engineering
Funders: This research is supported by the Basque Government through the BERC 2022-2025 program, the ELKARTEK 2022 and 2024 programs (KAIROS project: grant KK-2022/00052 and ELASTBAT: KK-2024/00091). The research is also partially funded by the Spanish State Research Agency through BCAM Severo Ochoa excellence accreditation CEX2021-0011 42-S/MICIN/AEI/10.13039/501100011033, and through projects PID2020-117080RB-C55 (‘Microscopic foundations of soft-matter experiments: computational nano-hydrodynamics’ and acronym ‘Compu-Nano-Hydro’) and PID2020-117080RB-C54 (‘Coarse-Graining theory and experimental techniques for multiscale biological systems’) funded by AEI – MICIN.
Start Page: A11