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Mohammad S. Khorrami

Publications and source records attributed to Mohammad S. Khorrami.

4 recordsLinked to original sources

An approach to encode divergence-free stress fields in neural approximations based on stress potentials

The purpose of the current work is the development of an approach to account for quasi-static mechanical equilibrium in empirical (i.e., data-based) models for the stress field employing neural approximations (NAs), which include neural networks (NNs) and neural operators (NOs), in particular Fourier NOs (FNOs). Rather than including such constraints from physics in the loss function as done in the (now standard) physics-informed approach, the current approach incorporates or "encodes" such constraints directly into the architecture of the NA. As a result, both NA training and output are physically constrained in the physics-encoded approach, in contrast to the physics-informed approach, in which only training is physically constrained. For the current constraint of divergence-free stress, a novel encoding approach based on a stress potential is proposed. As a "proof-of-concept" example application of the current approach, a physics-encoded FNO (PeFNO) is developed for a heterogeneous polycrystalline material consisting of isotropic elastic grains and subject to uniaxial extension. Stress field data for this purpose are obtained from the numerical solution of corresponding boundary-value problems for quasi-static mechanical equilibrium. For comparison with the PeFNO, this data is also employed to develop an analogous physics-guided FNO (PgFNO) and physics-informed FNO (PiFNO). As expected theoretically, and confirmed by this computational comparison, for comparable accuracy of the stress field itself as compared to the data, the stress field output by the trained and tested PeFNO is significantly more accurate in satisfying mechanical equilibrium than the output of either the PgFNO or the PiFNO.

cs.CE↗

A physics-encoded Fourier neural operator approach for surrogate modeling of divergence-free stress fields in solids

The purpose of the current work is the development of a so-called physics-encoded Fourier neural operator (PeFNO) for surrogate modeling of the quasi-static equilibrium stress field in solids. Rather than accounting for constraints from physics in the loss function as done in the (now standard) physics-informed approach, the physics-encoded approach incorporates or "encodes" such constraints directly into the network or operator architecture. As a result, in contrast to the physics-informed approach in which only training is physically constrained, both training and output are physically constrained in the physics-encoded approach. For the current constraint of divergence-free stress, a novel encoding approach based on a stress potential is proposed. As a "proof-of-concept" example application of the proposed PeFNO, a heterogeneous polycrystalline material consisting of isotropic elastic grains subject to uniaxial extension is considered. Stress field data for training are obtained from the numerical solution of a corresponding boundary-value problem for quasi-static mechanical equilibrium. This data is also employed to train an analogous physics-guided FNO (PgFNO) and physics-informed FNO (PiFNO) for comparison. As confirmed by this comparison and as expected on the basis of their differences, the output of the trained PeFNO is significantly more accurate in satisfying mechanical equilibrium than the output of either the trained PgFNO or the trained PiFNO.

cs.CE↗

Roadmap on Data-Centric Materials Science

Science is and always has been based on data, but the terms "data-centric" and the "4th paradigm of" materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of Artificial Intelligence (AI) and its subset Machine Learning (ML), has become pivotal in addressing all these challenges. This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy. While the roadmap delves into specific areas within the broad interdisciplinary field of materials science, the provided examples elucidate key concepts applicable to a wider range of topics. The discussed instances offer insights into addressing the multifaceted challenges encountered in contemporary materials research.

cond-mat.mtrl-sci↗

An artificial neural network for surrogate modeling of stress fields in viscoplastic polycrystalline materials

The purpose of this work is the development of an artificial neural network (ANN) for surrogate modeling of the mechanical response of viscoplastic grain microstructures. To this end, a U-Net-based convolutional neural network (CNN) is trained to account for the history dependence of the material behavior. The training data take the form of numerical simulation results for the von Mises stress field under quasi-static tensile loading. The trained CNN (tCNN) can accurately reproduce both the average response as well as the local von Mises stress field. The tCNN calculates the von Mises stress field of grain microstructures not included in the training dataset about 500 times faster than its calculation based on the numerical solution with a spectral solver of the corresponding initial-boundary-value problem. The tCNN is also successfully applied to other types of microstructure morphologies (e.g., matrix-inclusion type topologies) and loading levels not contained in the training dataset.

cond-mat.mtrl-sci↗