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Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
Published on: June 7, 2018
Beyond empirical models: Discovering constitutive laws in solids with graph-based equation discovery
Hao Xu1,2, Yuntian Chen1,3, Dongxiao Zhang1,4
1Zhejiang Key Laboratory of Industrial Intelligence and Digital Twin, Eastern Institute of Technology, Ningbo 315200, Zhejiang, China.
Abstract:
Constitutive models are fundamental to solid mechanics and materials science, underpinning the quantitative description of material behaviors. Traditional phenomenological models are often built on expert intuition and empirical fitting, which limits their generalizability. In this work, we propose a graph-based equation discovery framework for automated discovery of constitutive laws directly from multicase experimental data. This framework expresses equations as directed graphs, where nodes represent operators and variables, edges denote computational relations, and edge features encode parametric dependencies. This enables the generation and optimization of free-form symbolic expressions with undetermined material-specific parameters. Through the framework, we have found constitutive models for strain-rate effects in alloy steel materials, deformation behavior of lithium metal, and hyperelastic behavior of filled rubbers. The discovered models exhibit compact analytical structures and achieve higher accuracy than empirical models. The proposed framework provides a generalizable and interpretable approach for data-driven scientific modeling, particularly in contexts where traditional empirical models are inadequate for representing complex physical phenomena.
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