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M. Alves Maia

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Journal article (2026) - Ehsan Ghane, Marina A. Maia, Iuri B.C.M. Rocha, Martin Fagerström, Mohsen Mirkhalaf
AbstractMultiscale homogenization of woven composites requires detailed micromechanical evaluations, leading to high computational costs. Data-driven surrogate models based on neural networks address this challenge but often suffer from big data requirements, limited interpretability, and poor extrapolation capabilities. This study introduces a Hierarchical Physically Recurrent Neural Network (HPRNN) employing two levels of surrogate modeling. First, Physically Recurrent Neural Networks (PRNNs) are trained to capture the nonlinear elasto-plastic behavior of warp and weft yarns using micromechanical data. In a second scale transition, a physics-encoded meso-to-macroscale model integrates these yarn surrogates with the matrix constitutive model, embedding physical properties directly into the latent space. By adopting HPRNNs, nonphysical behavior often observed in predictions from pure data-driven recurrent neural networks and transformer networks can be avoided. This results in better generalization under complex cyclic loading conditions. The framework offers a computationally efficient and explainable solution for multiscale modeling of woven composites. ...
Modeling the mechanical behavior of high-performance materials often requires accounting for interactions occurring at a lower scale than the one of interest. This scale transition can be addressed in many ways, with different levels of fidelity and computational effort. Naturally, a trade-off exists between these two aspects, and no single method - analytical, numerical or computational - perfectly balances them. Among the high-fidelity options to model complex materials (e.g., composite laminate and concrete) is the concurrent multiscale analysis, or simply FE2.

In FE2, two distinct scales, e.g. macro and micro, are solved iteratively. At the microscale, the material geometry is explicitly described by the so-called Representative Volume Element (RVE), where relatively simple constitutive models describe its constituents. At the macroscale, an RVE is coupled to each integration point, and homogenization operators downscale strains and upscale stresses, removing the need for a (macroscopic) constitutive model. However, this generality is associated with high, often prohibitive, computational costs. The limited scalability of FE2 hinders its adoption in solving real-life engineering problems, driving the need for acceleration strategies that retain the generality of the multiscale framework.

In the last decade, machine learning-based techniques emerged as a popular alternative to reduce computational costs in these simulations. The use of a surrogate model to replace the RVE altogether is arguably the most popular one. Nevertheless, critical issues in data-driven surrogate models remain unsolved and are particularly evident when modelling history-dependent materials. Among them are the data-hungry nature, limited extrapolation capabilities and lack of interpretability.

To address these issues, we introduce a novel class of neural networks (NNs): the Physically Recurrent Neural Networks (PRNNs). The idea is to preserve the knowledge built into constitutive models by embedding them in an encoder-decoder NN architecture with several links to the computational homogenization framework. This hybrid approach, which is non-intrusive and unbound to a specific material model, seeks to combine the benefits of purely data-driven models with those of classical physics-based models.

Starting with a composite micromodel with elastic inclusions and elastoplastic matrix, we demonstrate how training data requirements can be dramatically reduced compared to standard state-of-the-art approaches, with speed-ups over four orders of magnitude compared to FE2. Then, we illustrate how architectural design choices not only improve interpretability but also push training requirements towards a new lower bound. Next, we incorporate cohesive zone models to model microscopic debonding. In later chapters, we shift to a 3D finite strain setting and adapt the method to handle hyperelasticity and elasto-viscoplasticity. The final chapter focuses on a real-life scientific application, followed by closing remarks, contributions and future research directions. ...
Journal article (2025) - N. Kovács, M. A. Maia, I. B.C.M. Rocha, C. Furtado, P. P. Camanho, F. P. van der Meer
In this work, we extend a recent surrogate modeling approach, the Physically Recurrent Neural Network (PRNN), to include the effect of debonding at the fiber–matrix interface of composite materials. The core idea of the PRNN is to implement the exact material models from the micromodel into one of the layers of the network to capture path-dependent behavior implicitly. For the case of debonding, additional material points with a cohesive zone model are integrated within the network, along with the bulk points associated to the fibers and/or matrix. The limitations of the existing architecture are discussed and taken into account for the development of novel architectures that better represent the stress homogenization procedure. In the proposed layout, the history variables of cohesive points act as extra latent features that help determine the local strains of bulk points. Different architectures are evaluated starting with small training datasets. To maximize the predictive accuracy and extrapolation capabilities of the network, various configurations of bulk and cohesive points are explored, along with different training dataset types and sizes. ...
In this work, a hybrid physics-based data-driven surrogate model for the microscale analysis of heterogeneous material is investigated. The proposed model benefits from the physics-based knowledge contained in the constitutive models used in the full-order micromodel by embedding the material models in a neural network. Following previous developments, this paper extends the applicability of the physically recurrent neural network (PRNN) by introducing an architecture suitable for rate-dependent materials in a finite strain framework. In this model, the homogenized deformation gradient of the micromodel is encoded into a set of deformation gradients serving as input to the embedded constitutive models. These constitutive models compute stresses, which are combined in a decoder to predict the homogenized stress, such that the internal variables of the history-dependent constitutive models naturally provide physics-based memory for the network. To demonstrate the capabilities of the surrogate model, we consider a unidirectional composite micromodel with transversely isotropic elastic fibers and elasto-viscoplastic matrix material. The extrapolation properties of the surrogate model trained to replace such micromodel are tested on loading scenarios unseen during training, ranging from different strain-rates to cyclic loading and relaxation. Speed-ups of three orders of magnitude with respect to the runtime of the original micromodel are obtained. ...

Embedding constitutive models in a data-driven surrogate

Journal article (2023) - M. A. Maia, I. B.C.M. Rocha, P. Kerfriden, F. P. van der Meer
Driven by the need to accelerate numerical simulations, the use of machine learning techniques is rapidly growing in the field of computational solid mechanics. Their application is especially advantageous in concurrent multiscale finite element analysis (FE2) due to the exceedingly high computational costs often associated with it and the high number of similar micromechanical analyses involved. To tackle the issue, using surrogate models to approximate the microscopic behavior and accelerate the simulations is a promising and increasingly popular strategy. However, several challenges related to their data-driven nature compromise the reliability of surrogate models in material modeling. The alternative explored in this work is to reintroduce some of the physics-based knowledge of classical constitutive modeling into a neural network by employing the actual material models used in the full-order micromodel to introduce non-linearity. Thus, path-dependency arises naturally since every material model in the layer keeps track of its own internal variables. For the numerical examples, a composite Representative Volume Element with elastic fibers and elasto-plastic matrix material is used as the microscopic model. The network is tested in a series of challenging scenarios and its performance is compared to that of a state-of-the-art Recurrent Neural Network (RNN). A remarkable outcome of the novel framework is the ability to naturally predict unloading/reloading behavior without ever seeing it during training, a stark contrast with popular but data-hungry models such as RNNs. Finally, the proposed network is applied to FE2 examples to assess its robustness for application in nonlinear finite element analysis. ...

Accelerating concurrent multiscale simulations of pathdependent composite materials

Conference paper (2022) - A. Maia Marina, B. C.M.Rocha Iuri, Kerfriden Pierre, Van Der Meer Frans P
In a concurrent multiscale (FE2) modeling approach the complex microstructure of composite materials is explicitly modeled on a finer scale and nested to each integration point of the macroscale. However, such generality is often associated with exceedingly high computational costs in real-scale applications. In this work, a novel Neural Network (NN) is used as the constitutive model for the microscale to tackle that issue. Unlike conventional NNs, the proposed network employs the actual material models used in the full-order micromodel as the activation function of one of the layers. The NN's capabilities are assessed (i) for a single micromodel level, where its performance is compared to that of a Recurrent Neural Network (RNN), and (ii) for an FE2 example. A highlight of the proposed network is the ability to predict unloading/reloading behavior without ever seeing it during training, a stark contrast with highly popular but data-hungry models such as RNNs. ...

An object-oriented framework for Surrogate-Based Optimization using bio-inspired algorithms

Journal article (2022) - Elias Saraiva Barroso, Leonardo Gonçalves Ribeiro, Marina Alves Maia, I.B.C.M. Rocha, Evandro Parente, Antônio Macário Cartaxo de Melo
This paper presents BIOS (acronym for Biologically Inspired Optimization System), an object-oriented framework written in C++, aimed at heuristic optimization with a focus on Surrogate-Based Optimization (SBO) and structural problems. The use of SBO to deal with structural optimization has grown considerably in recent years due to the outstanding gain in efficiency, often with little loss in accuracy. This is especially promising when adaptive sampling techniques are used. However, many issues are yet to be addressed before SBO can be employed reliably in most optimization problems. In that sense, continuous experimentation, testing and comparison are needed, which can be more easily carried out in an existing framework. The architecture is designed to implement conventional nature inspired algorithms and Sequential Approximated Optimization (SAO). The system aims to be efficient, easy to use and extensible. The efficiency and accuracy of the system are assessed on a set of benchmarks, and on the optimization of functionally graded structures. Excellent results are obtained. ...

Accelerating concurrent multiscale simulations of path-dependent composite materials

Conference paper (2022) - M. Alves Maia, I.B.C.M. Rocha, F.P. van der Meer
In a concurrent (FE2) multiscale modeling is an increasingly popular approach for modeling complex materials. As such, it is especially suited for modeling composites, as their complex microstructure can be explicitly modeled and nested to each integration point of the macroscale. However, this generality is often associated with exceedingly high computational costs for real-scale applications. One way to tackle the issue is to employ a cheaper-to-evaluate surrogate model for the microstructure based on few observations of the high-fidelity solution. On this note, Neural Networks (NN) are by far the most popular technique in building constitutive surrogates. However, conventional NNs assume a unique mapping between strains and stresses, limiting their ability to reproduce path-dependent behavior. Moreover, their data-driven nature severely limits their ability to extrapolate away from their training spaces. To circumvent these drawbacks, the alternative explored in this work is to reintroduce some of the physics-based knowledge of the problem into the NN. This is done by employing actual material models used in the full-order micromodel as the activation function of one of the layers of the network. Thus, path-dependency arises naturally since every material model in the layer has its own internal variables. To assess its capabilities, the network is employed as the surrogate model for a composite Representative Volume Element with elastic fibers and elasto-plastic matrix material. First, for a single micromodel, the performance of the network is compared to that of a state-of-the-art Recurrent Neural Network (RNN) in a number of challenging scenarios for data-driven models. Then, the proposed framework is applied to an FE2 example and the results are compared to the full-order solution in terms of accuracy and computational cost. An important outcome of the physics-infused network is the ability to naturally predict unloading/reloading behavior without ever seeing it during training, a stark contrast with highly popular but data-hungry models such as RNN. ...