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纳米结构的神经逆设计(NIDN)。

Neural Inverse Design of Nanostructures (NIDN).

机构信息

European Space Agency, Advanced Concepts Team, 2201AZ, Noordwijk, The Netherlands.

Instituto de Micro y Nanotecnología, IMN-CNM, CSIC (CEI UAM+CSIC), Isaac Newton, 8, 28760, Tres Cantos, Madrid, Spain.

出版信息

Sci Rep. 2022 Dec 22;12(1):22160. doi: 10.1038/s41598-022-26312-w.

DOI:10.1038/s41598-022-26312-w
PMID:36550167
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC9780235/
Abstract

In the recent decade, computational tools have become central in material design, allowing rapid development cycles at reduced costs. Machine learning tools are especially on the rise in photonics. However, the inversion of the Maxwell equations needed for the design is particularly challenging from an optimization standpoint, requiring sophisticated software. We present an innovative, open-source software tool called Neural Inverse Design of Nanostructures (NIDN) that allows designing complex, stacked material nanostructures using a physics-based deep learning approach. Instead of a derivative-free or data-driven optimization or learning method, we perform a gradient-based neural network training where we directly optimize the material and its structure based on its spectral characteristics. NIDN supports two different solvers, rigorous coupled-wave analysis and a finite-difference time-domain method. The utility and validity of NIDN are demonstrated on several synthetic examples as well as the design of a 1550 nm filter and anti-reflection coating. Results match experimental baselines, other simulation tools, and the desired spectral characteristics. Given its full modularity in regard to network architectures and Maxwell solvers as well as open-source, permissive availability, NIDN will be able to support computational material design processes in a broad range of applications.

摘要

在最近的十年中,计算工具已成为材料设计的核心,使得成本降低的同时开发周期也得以缩短。机器学习工具在光子学领域的应用尤其迅速发展。然而,从优化的角度来看,设计所需的麦克斯韦方程组的反演特别具有挑战性,需要复杂的软件。我们提出了一种名为“神经网络逆设计纳米结构(NIDN)”的创新型开源软件工具,它允许使用基于物理的深度学习方法设计复杂的堆叠材料纳米结构。我们没有采用无导数或数据驱动的优化或学习方法,而是执行基于梯度的神经网络训练,直接根据材料的光谱特性对其进行优化。NIDN 支持两种不同的求解器,即严格耦合波分析和时域有限差分法。在几个合成示例以及 1550nm 滤波器和抗反射涂层的设计中,展示了 NIDN 的实用性和有效性。结果与实验基准、其他模拟工具以及所需的光谱特性相匹配。由于它在网络架构和麦克斯韦求解器方面具有完全的模块化以及开源、许可的可用性,NIDN 将能够在广泛的应用中支持计算材料设计过程。

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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a70c/9780235/f861e04bc0ac/41598_2022_26312_Fig6_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a70c/9780235/65bf6d081577/41598_2022_26312_Fig7_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a70c/9780235/957e15075435/41598_2022_26312_Fig8_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a70c/9780235/5587cf422590/41598_2022_26312_Fig9_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a70c/9780235/1421086edf74/41598_2022_26312_Fig10_HTML.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a70c/9780235/40de18ef24e5/41598_2022_26312_Fig11_HTML.jpg
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