Zheng Li, Karapiperis Konstantinos, Kumar Siddhant, Kochmann Dennis M
Mechanics & Materials Lab, Department of Mechanical and Process Engineering, ETH Zürich, 8092, Zürich, Switzerland.
Department of Materials Science and Engineering, Delft University of Technology, 2628 CD, Delft, Netherlands.
Nat Commun. 2023 Nov 21;14(1):7563. doi: 10.1038/s41467-023-42068-x.
The rise of machine learning has fueled the discovery of new materials and, especially, metamaterials-truss lattices being their most prominent class. While their tailorable properties have been explored extensively, the design of truss-based metamaterials has remained highly limited and often heuristic, due to the vast, discrete design space and the lack of a comprehensive parameterization. We here present a graph-based deep learning generative framework, which combines a variational autoencoder and a property predictor, to construct a reduced, continuous latent representation covering an enormous range of trusses. This unified latent space allows for the fast generation of new designs through simple operations (e.g., traversing the latent space or interpolating between structures). We further demonstrate an optimization framework for the inverse design of trusses with customized mechanical properties in both the linear and nonlinear regimes, including designs exhibiting exceptionally stiff, auxetic, pentamode-like, and tailored nonlinear behaviors. This generative model can predict manufacturable (and counter-intuitive) designs with extreme target properties beyond the training domain.
机器学习的兴起推动了新材料的发现,尤其是超材料——桁架晶格是其最突出的类别。虽然它们的可定制特性已得到广泛探索,但由于庞大的离散设计空间和缺乏全面的参数化,基于桁架的超材料设计仍然非常有限,而且往往是启发式的。我们在此提出一种基于图的深度学习生成框架,该框架结合了变分自编码器和属性预测器,以构建一个涵盖大量桁架的简化连续潜在表示。这个统一的潜在空间允许通过简单操作(例如遍历潜在空间或在结构之间进行插值)快速生成新设计。我们进一步展示了一个优化框架,用于在线性和非线性状态下对具有定制机械性能的桁架进行逆向设计,包括表现出异常刚硬、负泊松比、类五模态和定制非线性行为的设计。这种生成模型可以预测超出训练域的具有极端目标特性的可制造(且违反直觉)设计。