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Spinodal metamaterials, with architectures inspired by natural phase-separation processes, have presented a significant alternative to periodic and symmetric morphologies when designing mechanical metamaterials with extreme performance.…

Computational Engineering, Finance, and Science · Computer Science 2025-01-10 Prakash Thakolkaran , Michael A. Espinal , Somayajulu Dhulipala , Siddhant Kumar , Carlos M. Portela

The inverse design of microstructures plays a pivotal role in optimizing metamaterials with specific, targeted physical properties. While traditional forward design methods are constrained by their inability to explore the vast…

Computer Vision and Pattern Recognition · Computer Science 2025-02-06 Tianyang Xue , Haochen Li , Longdu Liu , Paul Henderson , Pengbin Tang , Lin Lu , Jikai Liu , Haisen Zhao , Hao Peng , Bernd Bickel

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…

Materials Science · Physics 2023-07-18 Kang-Hyun Lee , Hyoung Jun Lim , Gun Jin Yun

The aim of the inverse chemical design is to develop new molecules with given optimized molecular properties or objectives. Recently, generative deep learning (DL) networks are considered as the state-of-the-art in inverse chemical design…

Machine Learning · Computer Science 2019-10-10 Haoran Wei , Mariefel Olarte , Garrett B. Goh

An image-based deep learning framework is developed in this paper to predict damage and failure in microstructure-dependent composite materials. The work is motivated by the complexity and computational cost of high-fidelity simulations of…

Machine Learning · Computer Science 2022-06-07 Reza Sepasdar , Anuj Karpatne , Maryam Shakiba

Conventional meta-atom designs rely heavily on researchers' prior knowledge and trial-and-error searches using full-wave simulations, resulting in time-consuming and inefficient processes. Inverse design methods based on optimization…

Machine Learning · Computer Science 2023-12-11 Zezhou Zhang , Chuanchuan Yang , Yifeng Qin , Hao Feng , Jiqiang Feng , Hongbin Li

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…

Computational Engineering, Finance, and Science · Computer Science 2024-04-17 Li Zheng , Konstantinos Karapiperis , Siddhant Kumar , Dennis M. Kochmann

Deep learning has emerged as a key tool for designing nanophotonic structures that manipulate light at sub-wavelength scales. We investigate how to inversely design plasmonic nanostructures using conditional generative adversarial networks.…

Optics · Physics 2026-05-21 Petter Persson , Nils Henriksson , Nicolò Maccaferri

Composite materials often exhibit mechanical anisotropy owing to the material properties or geometrical configurations of the microstructure. This makes their inverse design a two-fold problem. First, we must learn the type and orientation…

Computational Engineering, Finance, and Science · Computer Science 2024-12-19 Asghar A. Jadoon , Karl A. Kalina , Manuel K. Rausch , Reese Jones , Jan N. Fuhg

The optimization along the chain processing-structure-properties-performance is one of the core objectives in data-driven materials science. In this sense, processes are supposed to manufacture workpieces with targeted material…

Materials Science · Physics 2022-03-24 Tarek Iraki , Lukas Morand , Johannes Dornheim , Norbert Link , Dirk Helm

Harnessing the rich nonlinear dynamics of highly-deformable materials has the potential to unlock the next generation of functional smart materials and devices. However, unlocking such potential requires effective strategies to spatially…

This paper proposes a reinforcement learning framework for performance-driven structural design that combines bottom-up design generation with learned strategies to efficiently search large combinatorial design spaces. Motivated by the…

Computational Engineering, Finance, and Science · Computer Science 2025-07-31 Chloe S. H. Hong , Keith J. Lee , Caitlin T. Mueller

In recent years, there has been a growing interest in accelerated materials innovation in the context of the process-structure-property chain. In this regard, it is essential to take into account manufacturing processes and tailor materials…

Materials Science · Physics 2024-11-12 Lukas Morand , Tarek Iraki , Johannes Dornheim , Stefan Sandfeld , Norbert Link , Dirk Helm

Machine learning techniques have been widely employed as effective tools in addressing various engineering challenges in recent years, particularly for the challenging task of microstructure-informed materials modeling. This work provides a…

Materials Science · Physics 2024-05-29 Xiang-Long Peng , Mozhdeh Fathidoost , Binbin Lin , Yangyiwei Yang , Bai-Xiang Xu

Emerging multi-material 3D printing techniques have paved the way for the rational design of metamaterials with not only complex geometries but also arbitrary distributions of multiple materials within those geometries. Varying the spatial…

Materials Science · Physics 2022-04-06 H. Pahlavani , M. Amani , M. Cruz Saldívar , J. Zhou , M. J. Mirzaali , A. A. Zadpoor

The inverse design of optical metasurfaces is a rapidly emerging field that has already shown great promise in miniaturizing conventional optics as well as developing completely new optical functionalities. Such a design process relies on…

Optics · Physics 2020-08-26 Maksym V. Zhelyeznyakov , Steven L. Brunton , Arka Majumdar

The ability to readily design novel materials with chosen functional properties on-demand represents a next frontier in materials discovery. However, thoroughly and efficiently sampling the entire design space in a computationally tractable…

Materials Science · Physics 2021-06-08 Victor Fung , Jiaxin Zhang , Guoxiang Hu , P. Ganesh , Bobby G. Sumpter

A major obstacle to the realization of novel inorganic materials with desirable properties is the inability to perform efficient optimization across both materials properties and synthesis of those materials. In this work, we propose a…

Materials Science · Physics 2022-10-24 Elton Pan , Christopher Karpovich , Elsa Olivetti

Identifying the key microstructure representations is crucial for Computational Materials Design (CMD). However, existing microstructure characterization and reconstruction (MCR) techniques have limitations to be applied for materials…

Materials Science · Physics 2019-01-07 Zijiang Yang , Xiaolin Li , L. Catherine Brinson , Alok N. Choudhary , Wei Chen , Ankit Agrawal

Inverse microstructure design plays a central role in materials discovery, yet remains challenging due to the complexity of structure-property linkages and the scarcity of labeled training data. We propose Design-GenNO, a physics-informed…

Mathematical Physics · Physics 2025-09-11 Yaohua Zang , Phaedon-Stelios Koutsourelakis