A Graph Neural Network Approach to the Inverse Design for Thermal Transparency with Periodic Interparticle System

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Bin Liu, Yixi Wang
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引用次数: 0

Abstract

Recent years have witnessed significant advancements in utilizing machine learningbased techniques for thermal metamaterial-based structures and devices to attain favorable thermal transport behavior. Among the various thermal transport behaviors, achieving thermal transparency stands out as particularly desirable and intriguing. Our earlier work demonstrated the use of a thermal metamaterial-based periodic interparticle system as the underlying structure for manipulating thermal transport behavior and achieving thermal transparency. In this paper, we introduce an approach based on graph neural network to address the complex inverse design problem of determining the design parameters for a thermal metamaterial-based periodic interparticle system with the desired thermal transport behavior. Our work demonstrates that combining graph neural network modeling and inference is an effective approach for solving inverse design problems associated with attaining desirable thermal transport behaviors using thermal metamaterials.
采用图神经网络方法进行具有周期性粒子间系统的热透明度反向设计
近年来,基于机器学习技术的热超材料结构和器件在实现良好热传输行为方面取得了重大进展。在各种热传输行为中,实现热透明尤其令人期待和感兴趣。我们的早期工作展示了使用基于热超材料的周期性粒子间系统作为底层结构来操纵热传输行为和实现热透明。在本文中,我们介绍了一种基于图神经网络的方法,用于解决复杂的逆设计问题,即确定具有所需热传导行为的基于热超材料的周期性粒子间系统的设计参数。我们的研究表明,结合图神经网络建模和推理是解决与利用热超材料实现理想热传输行为相关的逆设计问题的有效方法。
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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