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Multiscale simulations of nanofluidics: Recent progress and perspective
Wiley Interdisciplinary Reviews: Computational Molecular Science ( IF 16.8 ) Pub Date : 2023-02-23 , DOI: 10.1002/wcms.1661
Chenxia Xie 1 , Hui Li 1
Affiliation  

Nanofluidics research has achieved a significant growth over the past few years. New phenomena of nanoscaled fluid flows are being reported continuously, such as altered liquid properties, fast flows, and ion rectification, which attract tremendous research interests in many fields, such as membrane science, biological nanochips, and energy conventions. Multiscale simulations, covering quantum mechanics, molecular mechanics, coarse-grained particle dynamics (mesoscale), and continuum mechanics, have shown their great advantages in studying the new frontier of nanofluidics in academia and industry, which is in range of 1–1000 nm scale. These simulations provide the opportunity to visualize the nanofluidics applications existed in the minds of scientists and then guide experimental design to realize the potential of nanofluidics applications in industrial. In this article, we attempt to give a comprehensive review of nanofluidics from the aspect of multiscale simulations. The methodology and role of various simulation methods used in the investigation of nanofluidics are presented. The properties and characteristics of nanofluidics are summarized. The applications of nanofluidics in recent years are emphasized. And then the development of simulation methods and the application of nanofluidics are also prospected.

中文翻译:

纳米流体的多尺度模拟:最新进展和前景

纳米流体研究在过去几年中取得了显着的增长。纳米级流体流动的新现象不断被报道,例如改变液体性质、快速流动和离子整流,这些现象引起了膜科学、生物纳米芯片和能源公约等许多领域的巨大研究兴趣。涵盖量子力学、分子力学、粗粒粒子动力学(介观)、连续介质力学等多尺度模拟,在学术界和工业界研究1~1000 nm尺度范围内的纳米流体新前沿方面显示出巨大优势。 。这些模拟提供了可视化科学家头脑中存在的纳米流体应用的机会,然后指导实验设计以实现纳米流体应用在工业中的潜力。在本文中,我们试图从多尺度模拟的角度对纳米流体进行全面的回顾。介绍了纳米流体研究中使用的各种模拟方法的方法和作用。总结了纳米流体的性质和特点。重点介绍了近年来纳米流体技术的应用。并对模拟方法的发展和纳米流体的应用进行了展望。介绍了纳米流体研究中使用的各种模拟方法的方法和作用。总结了纳米流体的性质和特点。重点介绍了近年来纳米流体技术的应用。并对模拟方法的发展和纳米流体的应用进行了展望。介绍了纳米流体研究中使用的各种模拟方法的方法和作用。总结了纳米流体的性质和特点。重点介绍了近年来纳米流体技术的应用。并对模拟方法的发展和纳米流体的应用进行了展望。
更新日期:2023-02-23
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