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Publication Embargo Uncovering stress fields and defects distributions in graphene using deep neural networks(Springer, Cham, 2023-05-19) Dewapriya, M. A. N.; Rajapakse, R. K. N. D.; Dias, W. P. S.Deep learning provides a new route for developing computationally efficient predictive models for some complex engineering problems by eliminating the need for establishing exact governing equations. In this work, we used conditional generative adversarial networks (cGANs) to identify defects in graphene samples and to predict the complex stress fields created by two interacting defective regions in graphene. The required data for developing deep learning models was obtained from molecular dynamics simulations, where the numerical results of the simulations were transformed into image-based data. Our results demonstrate that the neural nets can accurately predict some complex features of the interacting stress fields. Subsequently, we used cGANs to predict defect distributions; this revealed that a cGAN could predict the existence of a crack even though it had never seen a cracked sample during the training stage. This observation clearly demonstrates the remarkable generalizability of cGANs beyond the training samples, suggesting that deep learning can be a powerful tool for solving advanced nanoengineering problems.Publication Embargo Characterizing fracture stress of defective graphene samples using shallow and deep artificial neural networks(Pergamon, 2020-08-15) Dewapriya, M. A. N; Rajapakse, R. K. N. D; Dias, W. P. SAdvanced machine learning methods could be useful to obtain novel insights into some challenging nanomechanical problems. In this work, we employed artificial neural networks to predict the fracture stress of defective graphene samples. First, shallow neural networks were used to predict the fracture stress, which depends on the temperature, vacancy concentration, strain rate, and loading direction. A part of the data required to model the shallow networks was obtained by developing an analytical solution based on the Bailey durability criterion and the Arrhenius equation. Molecular dynamics (MD) simulations were also used to obtain some data. Sensitivity analysis was performed to explore the features learnt by the neural network, and their behaviour under extrapolation was also investigated. Subsequently, deep convolutional neural networks (CNNs) were developed to predict the fracture stress of graphene samples containing random distributions of vacancy defects. Data required to model CNNs was obtained from MD simulations. Our results reveal that the neural networks have a strong ability to predict the fracture stress of defective graphene under various processing conditions. In addition, this work highlights some advantages as well as limitations and challenges in using neural networks to solve complex problems in the domain of computational materials design.