Efficient material model parameter optimization in finite element analysis with differentiable physics

IF 3.3 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Computational Materials Science Pub Date : 2025-05-01 Epub Date: 2025-03-12 DOI:10.1016/j.commatsci.2025.113828
Sultan Al Hassanieh , Wesley F. Reinhart , Allison M. Beese
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Abstract

In this study, an efficient finite element model parameter optimization method is proposed by integrating differentiable physics into an optimization scheme for faster convergence with fewer function evaluations than finite difference (FD) gradient–based and gradient–free methods. The method is demonstrated using constitutive material model calibration and stress-field homogenization problems. The method leverages the efficiency of commercial finite element solvers by integrating them into a differentiable programming framework and applying automatic differentiation (AD) to the stress return-mapping algorithm, enabling the direct computation of loss function gradients. This approach circumvents the need for finite differences in gradient-based methods, while outperforming gradient-free methods. The performances of AD-enhanced and gradient-free methods are compared across problems ranging in dimensionality from 1-D to 24-D. In a 3-D problem, Bayesian optimization and Nelder-Mead required over 50 additional objective function evaluations on average and took ∼ 13 times longer in wall-clock time to converge than the AD-enhanced methods. For the 24-D problem, it took FD over 15 times longer to compute gradients than AD. AD-enhanced methods maintained their efficiency with increasing dimensionality, making them especially powerful for complex materials problems with high dimensional parameter spaces.

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可微物理条件下有限元分析中材料模型参数的有效优化
本文提出了一种有效的有限元模型参数优化方法,该方法将可微物理整合到优化方案中,与基于梯度和无梯度的有限差分(FD)方法相比,收敛速度更快,函数求值更少。通过本构材料模型标定和应力场均匀化问题对该方法进行了验证。该方法利用商业有限元求解器的效率,将它们整合到一个可微规划框架中,并将自动微分(AD)应用于应力返回映射算法,从而可以直接计算损失函数梯度。这种方法避免了基于梯度的方法对有限差分的需要,同时优于无梯度的方法。比较了ad增强和无梯度方法在一维到二十四维问题上的性能。在三维问题中,贝叶斯优化和Nelder-Mead平均需要超过50个额外的目标函数评估,并且在时钟时间上的收敛时间比ad增强的方法长13倍。对于24维问题,FD计算梯度的时间是AD的15倍以上。随着维度的增加,ad增强方法保持了其效率,使其在具有高维参数空间的复杂材料问题中特别强大。
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来源期刊
Computational Materials Science
Computational Materials Science 工程技术-材料科学:综合
CiteScore
6.50
自引率
6.10%
发文量
665
审稿时长
26 days
期刊介绍: The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.
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