Physics-Informed Graph Neural Networks for Predicting Deformation in Disordered Fibrous Materials

Disordered fibrous networks play vital mechanical roles but are difficult to model due to their sparse connectivity and complex nonaffine deformation. We introduce a physics-informed, graph-learning-based Network Mechanics Prediction (GNMP) that predicts deformation and stress-strain responses of 2D semiflexible networks with reliable accuracy and >10× efficiency gains over molecular dynamics. GNMP integrates graph-attention message passing, multiscale physical embeddings, and a bond-length-guided scheduler to capture key nonaffine rearrangements. Experiments on Poisson-ratio-aligned 3D-printed networks show consistent deformation motifs, descriptor trends, and comparable log-area changes (∼0.46 vs ∼0.24) while reducing the geometry-inference time to ∼0.13 s per step. GNMP offers a generalizable route for rapid, topology-aware mechanical prediction in fibrous network materials and supports the accelerated design of biomimetic soft tissues, flexible conductors, and related network-based systems.

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Publication Details

Journal
Nano Letters
Published
2025-12-26
DOI
https://doi.org/10.1021/acs.nanolett.5c04895
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
0.00
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article

Physics-Informed Graph Neural Networks for Predicting Deformation in Disordered Fibrous Materials

Ran Bai, Yunhao Yang, Leitao Cao, Chen Huang et al.
Nano Letters
Machine Learning in Materials Science
article

Physics-Informed Graph Neural Networks for Predicting Deformation in Disordered Fibrous Materials

Ran Bai, Yunhao Yang, Leitao Cao, Chen Huang, Shuo Yang, Jing Ren, Shengjie Ling
article en

Abstract

Disordered fibrous networks play vital mechanical roles but are difficult to model due to their sparse connectivity and complex nonaffine deformation. We introduce a physics-informed, graph-learning-based Network Mechanics Prediction (GNMP) that predicts deformation and stress-strain responses of 2D semiflexible networks with reliable accuracy and >10× efficiency gains over molecular dynamics. GNMP integrates graph-attention message passing, multiscale physical embeddings, and a bond-length-guided scheduler to capture key nonaffine rearrangements. Experiments on Poisson-ratio-aligned 3D-printed networks show consistent deformation motifs, descriptor trends, and comparable log-area changes (∼0.46 vs ∼0.24) while reducing the geometry-inference time to ∼0.13 s per step. GNMP offers a generalizable route for rapid, topology-aware mechanical prediction in fibrous network materials and supports the accelerated design of biomimetic soft tissues, flexible conductors, and related network-based systems.

Nano LettersVol. 26(1)
Fudan University (CN), ShanghaiTech University (CN), Shanghai Stomatological Hospital (CN), Institute of Macromolecular Chemistry (UA), Ingenierie des Materiaux polymeres (FR)
Openalex Percentile: Top 48%
Machine Learning in Materials Science
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Physics-Informed Graph Neural Networks for Predicting Deformation in Disordered Fibrous Materials — Ran Bai, Yunhao Yang, et al. · Nano Letters (2025) | TGRS Research Map | TGRS