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Shape Optimization of Nanopores by Dissolutive Flow

文献类型：期刊论文

作者Tian SH(田诗豪)1,2; Qin H(秦翰)1,2; Yuan QZ(袁泉子)1,2
刊名ACS APPLIED MATERIALS & INTERFACES
出版日期2025-02-01
卷号17期号:9页码:14726-14735
关键词dissolution edge effect molecular dynamicssimulations shape optimization nanopore
ISSN号1944-8244
DOI10.1021/acsami.4c22605
英文摘要Nanopores are ubiquitous across disciplines, ranging from bioscience to energy science. Enhancing their transport properties and energy storage capability is crucial to improving functionality. Dissolutive flow, which involves the removal of geometrical obstructions, can transform solid structures into shapes that are less obstructive. In this study, we utilized molecular dynamics simulations to optimize the shape of nanopores through a dissolution-based approach, resulting in optimized inlet and outlet configurations. Furthermore, we examined the distribution of pressure and stress to elucidate the mechanisms underlying shape evolution and edge effects. Conventional inlets impede liquid flow due to high pressure at the apex, a phenomenon we refer to as the reservoir pattern. As dissolution progresses, the apex pressure is significantly reduced over time, allowing a transition to the sliding pattern. By manipulating the dissolubility, wall velocity, and nanopore length, the optimized shape can be fine-tuned. Experiments conducted at the microscale confirmed the emergence of analogous optimized shapes. Additionally, we investigated the transport properties and energy storage capability of various nanopores using molecular dynamics simulations, demonstrating that the optimized nanopore can significantly reduce the hydrodynamic resistance and accelerate the charging rate. This research offers theoretical insights into nanopore dissolution and presents a viable strategy for the practical fabrication of optimized nanopores.
分类号二类/Q1
WOS研究方向Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Science & Technology - Other Topics ; Materials Science
语种英语
WOS记录号WOS:001432729100001
资助机构This work is jointly supported by the National Natural Science Foundation of China (NSFC, Grant No. 12241205, 12032019), the Strategic Priority Research Program of the Chinese Academy of Sciences (Grant No. XDB0620101, XDB0620103), and the National Key R&D Program of China (Grant No. 2022YFA1203200).
其他责任者袁泉子
源URL[http://dspace.imech.ac.cn/handle/311007/101462]  
专题力学研究所_非线性力学国家重点实验室
作者单位1.Institute of Mechanics, CAS;
2.University of Chinese Academy of Sciences, CAS
推荐引用方式
GB/T 7714		 Tian SH,Qin H,Yuan QZ. Shape Optimization of Nanopores by Dissolutive Flow[J]. ACS APPLIED MATERIALS & INTERFACES,2025,17(9):14726-14735.
APA 田诗豪,秦翰,&袁泉子.(2025).Shape Optimization of Nanopores by Dissolutive Flow.ACS APPLIED MATERIALS & INTERFACES,17(9),14726-14735.
MLA 田诗豪,et al."Shape Optimization of Nanopores by Dissolutive Flow".ACS APPLIED MATERIALS & INTERFACES 17.9(2025):14726-14735.

入库方式： OAI收割

来源：力学研究所

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