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Related papers: Inverse design of spinodoid structures using Bayes…

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Functional soft materials, comprising colloidal and molecular building blocks that self-organize into complex structures as a result of their tunable interactions, enable a wide array of technological applications. Inverse methods provide…

Soft Condensed Matter · Physics 2020-04-13 Zachary M. Sherman , Michael P. Howard , Beth A. Lindquist , Ryan B. Jadrich , Thomas M. Truskett

The rise of machine learning and additive manufacturing has enabled the design of architected materials with tailored properties that surpass those of natural materials. Inverse design offers a data-efficient alternative to trial-and-error…

Applied Physics · Physics 2026-04-30 Hirak Kansara , Leo Guo , Wei Tan

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

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…

In many biological materials such as nacre and bone, the material structure consists of hard grains and soft interfaces, with the interfaces playing a significant role in the material's mechanical behavior. This type of structures has been…

Materials Science · Physics 2024-12-19 Wei Zhang , Mingjian Tang , Haoxuan Mu , Xingzi Yang , Xiaowei Zeng , Rui Tuo , Wei , Chen , Wei Gao

The development of spintronic devices demands the existence of materials with some kind of spin splitting (SS). In this Data Descriptor, we build a database of ab initio calculated SS in 2D materials. More than that, we propose a workflow…

Colloidal self-assembly -- the spontaneous organization of colloids into ordered structures -- has been considered key to produce next-generation materials. However, the present-day staggering variety of colloidal building blocks and the…

Soft Condensed Matter · Physics 2021-06-29 Gabriele Maria Coli , Emanuele Boattini , Laura Filion , Marjolein Dijkstra

Spinodoid architected materials have drawn significant attention due to their unique nature in stochasticity, aperiodicity, and bi-continuity. Compared to classic periodic truss-, beam- and plate-based lattice architectures, spinodoids are…

Computational Engineering, Finance, and Science · Computer Science 2025-10-16 Shiguang Deng , Doksoo Lee , Aaditya Chandrasekhar , Stefan Knapik , Liwei Wang , Horacio D. Espinosa , Wei Chen

We create an data-efficient and accurate surrogate model for structure-property linkages of spinodoid metamaterials with only 75 data points -- far fewer than the several thousands used in prior works -- and demonstrate its use in…

Computational Engineering, Finance, and Science · Computer Science 2025-05-12 Max Rosenkranz , Markus Kästner , Ivo F. Sbalzarini

Smooth and curved microstructural topologies found in nature - from soap films to trabecular bone - have inspired several mimetic design spaces for architected metamaterials and bio-scaffolds. However, the design approaches so far have been…

Computational Engineering, Finance, and Science · Computer Science 2024-04-17 Yaqi Guo , Saurav Sharma , Siddhant Kumar

Inverse design of morphing slender structures with programmable curvature has significant applications in various engineering fields. Most existing studies formulate it as an optimization problem, which requires repeatedly solving the…

Soft Condensed Matter · Physics 2025-08-28 JiaHao Li , Weicheng Huang , YinBo Zhu , Luxia Yu , Xiaohao Sun , Mingchao Liu , HengAn Wu

In the pursuit of designing safer and more efficient energy-absorbing structures, engineers must tackle the challenge of improving crush performance while balancing multiple conflicting objectives, such as maximising energy absorption and…

Materials Science · Physics 2025-02-25 Hirak Kansara , Siamak F. Khosroshahi , Leo Guo , Miguel A. Bessa , Wei Tan

The thermoelastic metamaterial based on a bimaterial hybrid-honeycomb structure, exhibiting simultaneously negative Poisson's ratios and negative thermal expansion coefficients is very promising for various application. This work is…

Applied Physics · Physics 2026-02-25 Xiang-Long Peng , Bai-Xiang Xu

Materials design is an important component of modern science and technology, yet traditional approaches rely heavily on trial-and-error and can be inefficient. Computational techniques, enhanced by modern artificial intelligence (AI), have…

Disordered (amorphous) materials, such as glasses, are emerging as promising candidates for applications within energy storage, nonlinear optics, and catalysis. Their lack of long-range order and complex short- and medium-range orderings,…

Materials Science · Physics 2025-09-18 Jonas A. Finkler , Yan Lin , Tao Du , Jilin Hu , Morten M. Smedskjaer

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

One emerging approach for the fabrication of complex architectures on the nanoscale is to utilize particles customized to intrinsically self-assemble into a desired structure. Inverse methods of statistical mechanics have proven…

Materials Science · Physics 2017-09-08 R. B. Jadrich , B. A. Lindquist , T. M. Truskett

Optimizing the synthesis of zeolites and exploring novel frameworks offer pivotal opportunities and challenges in materials design. While inverse design proves highly effective for simpler crystals, its application to intricate structures…

Materials Science · Physics 2025-06-19 Chaohong Wang , Alberto Pérez de Alba Ortíz , Marjolein Dijkstra

Designing novel materials that possess desired properties is a central need across many manufacturing industries. Driven by that industrial need, a variety of algorithms and tools have been developed that combine AI (machine learning and…

Computational Engineering, Finance, and Science · Computer Science 2020-01-27 Seiji Takeda , Toshiyuki Hama , Hsiang-Han Hsu , Toshiyuki Yamane , Koji Masuda , Victoria A. Piunova , Dmitry Zubarev , Jed Pitera , Daniel P. Sanders , Daiju Nakano

The discovery of advanced materials is the cornerstone of human technological development and progress. The structures of materials and their corresponding properties are essentially the result of a complex interplay of multiple degrees of…

Materials Science · Physics 2025-02-21 Xiao-Qi Han , Xin-De Wang , Meng-Yuan Xu , Zhen Feng , Bo-Wen Yao , Peng-Jie Guo , Ze-Feng Gao , Zhong-Yi Lu
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