论文标题
思考的毛孔:使用生成的对抗网络用于与周期性边界的3D多相电极微结构的随机重建
Pores for thought: The use of generative adversarial networks for the stochastic reconstruction of 3D multi-phase electrode microstructures with periodic boundaries
论文作者
论文摘要
多孔多孔电极微结构的产生是优化电化学储能设备的关键步骤。这项工作实现了深度卷积生成对抗网络(DC-GAN),用于生成现实的N相微结构数据。相同的网络结构成功地应用于两个非常不同的三相微观结构:锂离子电池阴极和一个固体氧化物燃料电池阳极。实际和合成数据之间的比较是根据形态学特性(体积分数,特定表面积,三相边界)和传输特性(相对扩散率)以及两点相关函数进行的。结果表明,数据集之间的一致性很高,并且它们在视觉上也无法区分。通过修改对生成器的输入,我们表明可以在所有三个方向上生成具有周期性边界的微结构。这有可能显着减少所需的代表性所需的模拟体积,从而大大降低预测优化过程中特定微观结构的性能所需的电化学模拟的计算成本。
The generation of multiphase porous electrode microstructures is a critical step in the optimisation of electrochemical energy storage devices. This work implements a deep convolutional generative adversarial network (DC-GAN) for generating realistic n-phase microstructural data. The same network architecture is successfully applied to two very different three-phase microstructures: A lithium-ion battery cathode and a solid oxide fuel cell anode. A comparison between the real and synthetic data is performed in terms of the morphological properties (volume fraction, specific surface area, triple-phase boundary) and transport properties (relative diffusivity), as well as the two-point correlation function. The results show excellent agreement between for datasets and they are also visually indistinguishable. By modifying the input to the generator, we show that it is possible to generate microstructure with periodic boundaries in all three directions. This has the potential to significantly reduce the simulated volume required to be considered representative and therefore massively reduce the computational cost of the electrochemical simulations necessary to predict the performance of a particular microstructure during optimisation.