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The advent of computational statistical disciplines, such as machine learning, is leading to a paradigm shift in the way we conceive the design of new compounds. Today computational science does not only provide a sound understanding of…

Materials Science · Physics 2019-11-07 Alessandro Lunghi , Stefano Sanvito

Inverse design, the process of matching a device or process parameters to exhibit a desired performance, is applied in many disciplines ranging from material design over chemical processes and to engineering. Machine learning has emerged as…

Machine Learning · Computer Science 2022-08-31 Michel Frising , Jorge Bravo-Abad , Ferry Prins

In the present work, a hyperelastic constitutive model based on neural networks is proposed which fulfills all common constitutive conditions by construction, and in particular, is applicable to compressible material behavior. Using…

Computational Engineering, Finance, and Science · Computer Science 2023-07-07 Lennart Linden , Dominik K. Klein , Karl A. Kalina , Jörg Brummund , Oliver Weeger , Markus Kästner

In the present work, a machine learning based constitutive model for electro-mechanically coupled material behavior at finite deformations is proposed. Using different sets of invariants as inputs, an internal energy density is formulated…

Computational Engineering, Finance, and Science · Computer Science 2022-08-30 Dominik K. Klein , Rogelio Ortigosa , Jesús Martínez-Frutos , Oliver Weeger

We present a framework for the multiscale modeling of finite strain magneto-elasticity based on physics-augmented neural networks (NNs). By using a set of problem specific invariants as input, an energy functional as the output and by…

Computational Engineering, Finance, and Science · Computer Science 2023-09-01 Karl A. Kalina , Philipp Gebhart , Jörg Brummund , Lennart Linden , WaiChing Sun , Markus Kästner

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

The development of new materials typically involves a process of trial and error, guided by insights from past experimental and theoretical findings. The inverse design approach for soft-matter systems has the potential to optimize specific…

Understanding how nano- or micro-scale structures and material properties can be optimally configured to attain specific functionalities remains a fundamental challenge. Photonic metasurfaces, for instance, can be spectrally tuned through…

Discovering new physical products and processes often demands enormous experimentation and expensive simulation. To design a new product with certain target characteristics, an extensive search is performed in the design space by trying out…

Machine Learning · Statistics 2018-11-16 Phuoc Nguyen , Truyen Tran , Sunil Gupta , Santu Rana , Svetha Venkatesh

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…

We propose a data-driven constitutive framework for anisotropic damage mechanics based on the second-order damage tensor approach for both compressible and incompressible materials. The formulation is thermodynamically consistent and…

Applied Physics · Physics 2025-08-11 Amirhossein Amiri-Hezaveh , Adrian Buganza Tepole

Recent advances in meta-optics have enabled diverse functionalities in compact optical devices; however, conventional forward design approaches become inadequate as device complexity and scale grow. Inverse design offers a powerful…

Designing composite materials as per the application requirements is fundamentally a challenging and time consuming task. Here we report the development of a deep neural network based computational framework capable of solving the forward…

Materials Science · Physics 2022-09-14 Ashank , Soumen Chakravarty , Pranshu Garg , Ankit Kumar , Manish Agrawal , Prabhat K. Agnihotri

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 simulation of nanophotonic structures relies on electromagnetic solvers, which play a crucial role in understanding their behavior. However, these solvers often come with a significant computational cost, making their application in…

Machine Learning · Computer Science 2024-05-22 Liang Cheng , Prashant Singh , Francesco Ferranti

We present a neural network approach for fast evaluation of parameter-dependent polyconvex envelopes, which are crucial in computational mechanics. Our method uses a neural network architecture that inherently encodes polyconvexity in the…

Numerical Analysis · Mathematics 2025-04-11 Loïc Balazi , Timo Neumeier , Malte A. Peter , Daniel Peterseim

We propose a novel approach to model viscoelasticity materials using neural networks, which capture rate-dependent and nonlinear constitutive relations. However, inputs and outputs of the neural networks are not directly observable, and…

Numerical Analysis · Mathematics 2020-05-12 Kailai Xu , Alexandre M. Tartakovsky , Jeff Burghardt , Eric Darve

Tailoring materials to achieve a desired behavior in specific applications is of significant scientific and industrial interest as design of materials is a key driver to innovation. Overcoming the rather slow and expertise-bound traditional…

Materials Science · Physics 2025-03-11 Alexander Raßloff , Paul Seibert , Karl A. Kalina , Markus Kästner

Real-world solids, such as rocks, soft tissues, and engineering materials, are often under some form of stress. Most real materials are also, to some degree, anisotropic due to their microstructure, a characteristic often called the…

Classical Physics · Physics 2022-08-09 Soumya Mukherjee , Michel Destrade , Artur L. Gower

Layout designs are encountered in a variety of fields. For problems with many design degrees of freedom, efficiency of design methods becomes a major concern. In recent years, machine learning methods such as artificial neural networks have…

Machine Learning · Computer Science 2021-02-01 Chao Qian , Renkai Tan , Wenjing Ye