mlsanityData to 14 Oct 2026

A Comparison of Surrogate Constitutive Models for Viscoplastic Creep Simulation of HT-9 Steel

arXiv 2509.22667 ↗First posted 5 Sep 2025physics.comp-ph cond-mat.mtrl-sci cs.CEcited by 0

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Abstract (arXiv)

Mechanistic microstructure-informed constitutive models for the mechanical response of polycrystals are a cornerstone of computational materials science. However, as these models become increasingly more complex - often involving coupled differential equations describing the effect of specific deformation modes - their associated computational costs can become prohibitive, particularly in optimization or uncertainty quantification tasks that require numerous model evaluations. To address this challenge, surrogate constitutive models that balance accuracy and computational efficiency are highly desirable. Data-driven surrogate models, that learn the constitutive relation directly from data, have emerged as a promising solution. In this work, we develop two local surrogate models for the viscoplastic response of a steel: a piecewise response surface method and a mixture of experts model. These surrogates are designed to adapt to complex material behavior, which may vary with material parameters or operating conditions. The surrogate constitutive models are applied to creep simulations of HT-9 steel, an alloy of considerable interest to the nuclear energy sector due to its high tolerance to radiation damage, using training data generated from viscoplastic self-consistent (VPSC) simulations. We define a set of test metrics to numerically assess the accuracy of our surrogate models for predicting viscoplastic material behavior, and show that the mixture of experts model outperforms the piecewise response surface method in terms of accuracy.

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References · 11

  1. 2016SGDR: Stochastic Gradient Descent with Warm Restartscited by 5,045
  2. 2017Outrageously Large Neural Networks: The Sparsely-Gated Mixture-of-Experts Layercited by 3,509
  3. 2013Learning Factored Representations in a Deep Mixture of Expertscited by 278
  4. 2024A review on data-driven constitutive laws for solidscited by 35
  5. 2023Deep Learning in Deterministic Computational Mechanicscited by 21
  6. 2024Peridynamic Neural Operators: A Data-Driven Nonlocal Constitutive Model for Complex Material Responsescited by 18
  7. 2021Local approximate Gaussian process regression for data-driven constitutive laws: Development and comparison with neural networkscited by 17
  8. 2020On-the-fly construction of surrogate constitutive models for concurrent multiscale mechanical analysis through probabilistic machine learningcited by 14
  9. 2019Tensor Basis Gaussian Process Models of Hyperelastic Materialscited by 11
  10. 2023A comparative study on different neural network architectures to model inelasticitycited by 11
  11. 2024A Microstructure-based Graph Neural Network for Accelerating Multiscale Simulationscited by 7

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