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一种用于设计具有可调机械性能的纳米多孔氮化硅膜的可解释深度学习方法。

An interpretable deep learning approach for designing nanoporous silicon nitride membranes with tunable mechanical properties.

作者信息

Shargh Ali K, Abdolrahim Niaz

机构信息

Department of Mechanical Engineering, University of Rochester, Rochester, NY 14627 USA.

Materials Science program, University of Rochester, Rochester, NY 14627 USA.

出版信息

NPJ Comput Mater. 2023;9(1):82. doi: 10.1038/s41524-023-01037-0. Epub 2023 May 27.

Abstract

The high permeability and strong selectivity of nanoporous silicon nitride (NPN) membranes make them attractive in a broad range of applications. Despite their growing use, the strength of NPN membranes needs to be improved for further extending their biomedical applications. In this work, we implement a deep learning framework to design NPN membranes with improved or prescribed strength values. We examine the predictions of our framework using physics-based simulations. Our results confirm that the proposed framework is not only able to predict the strength of NPN membranes with a wide range of microstructures, but also can design NPN membranes with prescribed or improved strength. Our simulations further demonstrate that the microstructural heterogeneity that our framework suggests for the optimized design, lowers the stress concentration around the pores and leads to the strength improvement of NPN membranes as compared to conventional membranes with homogenous microstructures.

摘要

纳米多孔氮化硅(NPN)膜的高渗透性和强选择性使其在广泛的应用中具有吸引力。尽管它们的使用越来越广泛,但为了进一步扩展其生物医学应用,NPN膜的强度仍需提高。在这项工作中,我们实施了一个深度学习框架来设计具有改进或规定强度值的NPN膜。我们使用基于物理的模拟来检验我们框架的预测结果。我们的结果证实,所提出的框架不仅能够预测具有广泛微观结构的NPN膜的强度,还能够设计具有规定强度或改进强度的NPN膜。我们的模拟进一步表明,我们的框架为优化设计所建议的微观结构异质性,降低了孔周围的应力集中,并导致与具有均匀微观结构的传统膜相比,NPN膜的强度有所提高。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ea6b/10221757/9c40fda20605/41524_2023_1037_Fig1_HTML.jpg

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