卷积神经网络机器学习相关外文翻译中英文2020
英文
Prediction of composite microstructure stress-strain curves using
convolutional neural networks
Charles Yang，Youngsoo Kim，Seunghwa Ryu，Grace Gucracks什么意思中文
Abstract
Stress-strain curves are an important representation of a material's mechanical properties, from which important properties such as elastic modulus, strength, and toughness, are defined. However, generating stress-strain curves from numerical methods such as finite element method (FEM) is computationally intensive, especially when considering the entire failure path for a material. As a result, it is difficult to perform high throughput computational design of materials with large design spaces, especially when considering mechanical responses beyond the elastic limit. In this work, a combination of principal component analysis (PCA) and convolutional neural networks (CNN) are used to predict the entire stress-strain behavior of binary composites evaluated over the entire failure path, motivated by the signifi
cantly faster inference speed of empirical models. We show that PCA transforms the stress-strain curves into an effective latent space by visualizing the eigenbasis of PCA. Despite having a dataset of only 10-27% of possible microstructure configurations, the mean absolute error of the prediction is <10% of the
range of values in the dataset, when measuring model performance based on derived material descriptors, such as modulus, strength, and toughness. Our study demonstrates the potential to use machine learning to accelerate material design, characterization, and optimization.
Keywords：Machine learning，Convolutional neural networks，Mechanical properties，Microstructure，Computational mechanics Introduction
Understanding the relationship between structure and property for materials is a seminal problem in material science, with significant applications for designing next-generation materials.    A primary motivating example is designing composite microstructures for load-bearing applications, as composites offer advantageously high specific strength and specific toughness. Recent advancements in additive manufacturing have facilitated the fabrication of complex composite structures, and as a result, a variety of complex designs have been fabricated and tested via 3D-printing methods. While m
ore advanced manufacturing techniques are opening up unprecedented opportunities for advanced materials and novel functionalities, identifying microstructures with desirable properties is a difficult optimization problem.
One method of identifying optimal composite designs is by constructing analytical theories. For conventional particulate/fiber-reinforced composites, a variety of homogenization
theories have been developed to predict the mechanical properties of composites as a function of volume fraction, aspect ratio, and orientation distribution of reinforcements. Because many natural composites, synthesized via self-assembly processes, have relatively periodic and regular structures, their mechanical properties can be predicted if the load transfer mechanism of a representative unit cell and the role of the self-similar hierarchical structure are understood. However, the applicability of analytical theories is limited in quantitatively predicting composite properties beyond the elastic limit in the presence of defects, because such theories rely on the concept of representative volume element (RVE), a statistical representation of material properties, whereas the strength and failure is determined by the weakest defect in the entire sample domain. Numerical modeling based on finite element methods (FEM) can complement analytical methods for predicting inelastic properties such as strength and toughness modulus (referred to as toughness, hereafter) which can only be obtained fro
m full stress-strain curves.
However, numerical schemes capable of modeling the initiation and propagation of the curvilinear cracks, such as the crack phase field model, are computationally expensive and time-consuming because a very fine mesh is required to accommodate highly concentrated stress field near crack tip and the rapid variation of damage parameter near diffusive crack
surface. Meanwhile, analytical models require significant human effort and domain expertise and fail to generalize to similar domain problems.
In order to identify high-performing composites in the midst of large design spaces within realistic time-frames, we need models that can rapidly describe the mechanical properties of complex systems and be generalized easily to analogous systems. Machine learning offers the benefit of extremely fast inference times and requires only training data to learn relationships between inputs and outputs    e.g., composite microstructures and their mechanical properties. Machine learning has already been applied to speed up the optimization of several different physical systems, including graphene kirigami cuts, fine-tuning spin qubit parameters, and probe microscopy tuning. Such models do not require significant human intervention or knowledge, learn relationships efficiently relative to the input design space, and can be generalized to different systems.
In this paper, we utilize a combination of principal component analysis (PCA) and convolutional neural networks (CNN) to predict the entire stress-strain c urve of composite failures beyond the elastic limit. Stress-strain curves are chosen as the model's target because t hey are difficult to predict given their high dimensionality. In addition, stress-strain curves are used to derive important material descriptors such as modulus, strength, and toughness. In this sense, predicting stress-strain
curves is a more general description of composites properties than any combination of scaler material descriptors. A dataset of 100,000 different composite microstructures and their corresponding stress-strain curves are used to train and evaluate model performance. Due to the high dimensionality of the stress-strain dataset, several dimensionality reduction methods are used, including PCA, featuring a blend of domain understanding and traditional machine learning, to simplify the problem without loss of generality for the model.
We will first describe our modeling methodology and the parameters of our finite-element method (FEM) used to generate data. Visualizations of the learned PCA latent space are then presented, a long with model performance results.
CNN implementation and training
A convolutional neural network was trained to predict this lower dimensional representation of the stress vector. The input to the CNN was a binary matrix representing the composite design, with 0's corresponding to soft blocks and 1's corresponding to stiff blocks. PCA was implemented with the open-source Python package scikit-learn, using the default hyperparameters. CNN was implemented using Keras with a TensorFlow backend. The batch size for all experiments was set to 16 and the number of epochs to 30; the Adam optimizer was used to update the CNN weights during backpropagation.

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