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The Poynting effect generically manifests itself as the extension of the material in the direction perpendicular to an applied shear deformation (torsion) and is a material parameter hard to design. Unlike isotropic solids, in designed…

Soft Condensed Matter · Physics 2022-07-12 Aref Ghorbani , David Dykstra , Corentin Coulais , Daniel Bonn , Erik van der Linden , Mehdi Habibi

Machine learning (ML) is emerging as a transformative tool for the design of architected materials, offering properties that far surpass those achievable through lab-based trial-and-error methods. However, a major challenge in current…

Artificial intelligence is transforming computational materials science, improving the prediction of material properties, and accelerating the discovery of novel materials. Recently, publicly available material data repositories have grown…

Direct prediction of material properties from microstructures through statistical models has shown to be a potential approach to accelerating computational material design with large design spaces. However, statistical modeling of highly…

Computational Physics · Physics 2017-12-12 Ruijin Cang , Hechao Li , Hope Yao , Yang Jiao , Yi Ren

Functionally Graded Materials (FGMs) made of soft constituents have emerged as promising material-structure systems in potential applications across many engineering disciplines, such as soft robots, actuators, energy harvesting, and tissue…

Computational Engineering, Finance, and Science · Computer Science 2025-07-01 Shiguang Deng , Horacio D. Espinosa , Wei Chen

Triply periodic minimal surface (TPMS) metamaterials characterized by mathematically-controlled topologies exhibit better mechanical properties compared to uniform structures. The unit cell topology of such metamaterials can be further…

Computational Engineering, Finance, and Science · Computer Science 2023-03-20 Asha Viswanath , Diab W Abueidda , Mohamad Modrek , Kamran A Khan , Seid Koric , Rashid K. Abu Al-Rub

Composite materials with 3D architectures are desirable in a variety of applications for the capability of tailoring their properties to meet multiple functional requirements. By the arrangement of materials' internal components, structure…

Materials Science · Physics 2023-02-28 Zhengyang Zhang , Han Fang , Zhao Xu , Jiajie Lv , Yao Shen , Yanming Wang

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

Hierarchically designed mechanical metamaterials involve nested levels of structural organization, mimicking natural structures (such as bones, wood, and bird feathers) to create advanced functional materials. Compositional hierarchy, a…

Soft Condensed Matter · Physics 2026-05-21 Shammo Dutta , Girish Krishnan , Sree Kalyan Patiballa

Multifunctional metamaterials (MMM) bear promise as next-generation material platforms supporting miniaturization and customization. Despite many proof-of-concept demonstrations and the proliferation of deep learning assisted design, grand…

Computational Engineering, Finance, and Science · Computer Science 2024-03-28 Doksoo Lee , Lu Zhang , Yue Yu , Wei Chen

Ultrathin meta-optics offer unmatched, multifunctional control of light. Next-generation optical technologies, however, demand unprecedented performance. This will likely require design algorithms surpassing the capability of human…

Optics · Physics 2021-04-06 Shane Colburn , Arka Majumdar

Shape-morphing metamaterials enable adaptive structures capable of complex functional deformations, with applications ranging from reconfigurable structures and soft robotics to medical devices. However, their design remains challenging due…

Computational Engineering, Finance, and Science · Computer Science 2026-05-11 Jipeng Cui , Wei "Wayne" Chen

Discovering functional crystalline materials entails navigating an immense combinatorial design space. While recent advances in generative artificial intelligence have enabled the sampling of chemically plausible compositions and…

Machine Learning · Computer Science 2025-11-11 Hyunsoo Park , Aron Walsh

Multi-objective parametric optimization problem is presented for overwrapped composite pressure vessels under internal pressure for storage and heating water. It is solved using the developed iterative optimization algorithm. Optimal values…

Optimization and Control · Mathematics 2024-10-08 Lyudmyla Rozova , Bilal Meemary , Salim Chaki , Mylène Deléglise-Lagardère , Dmytro Vasiukov

Our goal is to develop a design framework for multifunctional mechanical metamaterials that can tune their rigidity while optimizing other desired properties. Towards this goal, we first demonstrate that underconstrained central force…

Soft Condensed Matter · Physics 2024-07-22 Tyler Hain , Chris Santangelo , M. Lisa Manning

Generative models in molecular design tend to be richly parameterized, data-hungry neural models, as they must create complex structured objects as outputs. Estimating such models from data may be challenging due to the lack of sufficient…

Machine Learning · Computer Science 2021-08-17 Kevin Yang , Wengong Jin , Kyle Swanson , Regina Barzilay , Tommi Jaakkola

A fundamental issue in multiscale materials modeling and design is the consideration of traction-separation behavior at the interface. By enriching the deep material network (DMN) with cohesive layers, the paper presents a novel data-driven…

Materials Science · Physics 2020-02-19 Zeliang Liu

Mechanical metamaterials have continued to offer unprecedented tunability in mechanical properties, but most designs to date have prioritized attaining high stiffness and strength while sacrificing deformability. The emergence of woven…

Soft Condensed Matter · Physics 2026-04-21 Molly Carton , James Utama Surjadi , Bastien F. G. Aymon , Carlos M. Portela

We devise an approach for targeted molecular design, a problem of interest in computational drug discovery: given a target protein site, we wish to generate a chemical with both high binding affinity to the target and satisfactory…

Artificial Intelligence · Computer Science 2018-09-07 Tristan Aumentado-Armstrong

Recent advances in hyperbolic metamaterials have spurred many breakthroughs in the field of manipulating light propagation. However, the unusual electromagnetic properties also put extremely high demands on its compositional materials.…

Applied Physics · Physics 2021-03-16 Li-Zheng Yin , Feng-Yuan Han , Jin Zhao , Di Wang , Tie-Jun Huang , Pu-Kun Liu
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