碳纳米管数据驱动集成设计、合成、优化与预测研究进展

IF 5.8 3区 材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Qiutong Li, Qi Jin, Chenyu Gao, Xijun Zhang, Xinyue Zhao, Yan He, Dianming Chu, Wenjuan Bai
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引用次数: 0

摘要

碳纳米管(CNT)由于其优异的热学、电学、力学和生物相容性,在许多领域有着广阔的应用前景。但其结构的复杂性导致传统研究方法存在计算量大、效率低的合成表征优化与预测问题,严重制约了其发展进程。机器学习(ML)作为一种新兴的技术,由于其能够降低计算成本、缩短开发周期、提高准确性,在碳纳米管研究中得到了广泛的应用。ML不仅优化了合成控制参数以实现精确的结构控制,而且结合了各种成像和光谱技术,显著提高了表征的准确性和效率。此外,机器学习有助于在优化和预测层面提高碳纳米管器件的性能,实现准确的性能预测。然而,碳纳米管研究中的ML仍然面临着复杂数据情况的算法处理、算法组合优化空间不足、模型可解释性不足等挑战。未来的研究可以着眼于开发更高效的ML算法和统一的标准化数据库,探索不同算法的深度融合,进一步提高ML在碳纳米管研究中的性能,促进其在更多领域的应用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Advances in data-driven integrated design synthesis optimization and prediction of carbon nanotube

Carbon nanotube (CNT) has promising applications in several fields due to their excellent thermal, electrical, mechanical, and biocompatible properties. However, the complexity of its structure leads to the problems of computationally intensive and inefficient synthetic characterization optimization and prediction by traditional research methods, which seriously restricts the development process. Machine learning (ML), as an emerging technology, has been widely used in CNT research due to its ability to reduce computational cost, shorten the development cycle, and improve the accuracy. ML not only optimizes the synthetic control parameters for precise structural control, but also combines various imaging and spectroscopic techniques to significantly improve the accuracy and efficiency of characterization. In addition, ML helps to improve the performance of CNT devices at the optimization and prediction levels, and achieve accurate performance prediction. However, ML in CNT research still faces challenges such as algorithmic processing of complex data situations, insufficient space for algorithmic combined optimization, and lack of model interpretability. Future research can focus on developing more efficient ML algorithms and unified standardized databases, exploring the deep integration of different algorithms, further improving the performance of ML in CNT research, and promoting its application in more fields.

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来源期刊
Carbon Letters
Carbon Letters CHEMISTRY, MULTIDISCIPLINARY-MATERIALS SCIENCE, MULTIDISCIPLINARY
CiteScore
7.30
自引率
20.00%
发文量
118
期刊介绍: Carbon Letters aims to be a comprehensive journal with complete coverage of carbon materials and carbon-rich molecules. These materials range from, but are not limited to, diamond and graphite through chars, semicokes, mesophase substances, carbon fibers, carbon nanotubes, graphenes, carbon blacks, activated carbons, pyrolytic carbons, glass-like carbons, etc. Papers on the secondary production of new carbon and composite materials from the above mentioned various carbons are within the scope of the journal. Papers on organic substances, including coals, will be considered only if the research has close relation to the resulting carbon materials. Carbon Letters also seeks to keep abreast of new developments in their specialist fields and to unite in finding alternative energy solutions to current issues such as the greenhouse effect and the depletion of the ozone layer. The renewable energy basics, energy storage and conversion, solar energy, wind energy, water energy, nuclear energy, biomass energy, hydrogen production technology, and other clean energy technologies are also within the scope of the journal. Carbon Letters invites original reports of fundamental research in all branches of the theory and practice of carbon science and technology.
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