[1]王玉娟,郭亚杰,裘英华,等.硅表面微结构对表面润湿方向性影响的分子动力学研究[J].东南大学学报(自然科学版),2014,44(6):1161-1165.[doi:10.3969/j.issn.1001-0505.2014.06.012]
 Wang Yujuan,Guo Yajie,Qiu Yinghua,et al.Effects of surface microstructure on wetting direction of silicon substrates by molecular dynamics study[J].Journal of Southeast University (Natural Science Edition),2014,44(6):1161-1165.[doi:10.3969/j.issn.1001-0505.2014.06.012]
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硅表面微结构对表面润湿方向性影响的分子动力学研究()
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《东南大学学报(自然科学版)》[ISSN:1001-0505/CN:32-1178/N]

卷:
44
期数:
2014年第6期
页码:
1161-1165
栏目:
机械工程
出版日期:
2014-11-20

文章信息/Info

Title:
Effects of surface microstructure on wetting direction of silicon substrates by molecular dynamics study
作者:
王玉娟郭亚杰裘英华陈云飞
东南大学机械工程学院, 南京 211189; 东南大学江苏省微纳生物医疗器械设计与制造重点实验室, 南京 211189
Author(s):
Wang Yujuan Guo Yajie Qiu Yinghua Chen Yunfei
School of Mechanical Engineering, Southeast University, Nanjing 211189, China
Jiangsu Key Laboratory for Design and Manufacture of Micro-nano Biomedical Instruments, Southeast University, Nanjing 211189, China
关键词:
分子动力学 表面润湿性 表面微结构
Keywords:
molecular dynamics surface wetting surface micro-structure
分类号:
TH117.2
DOI:
10.3969/j.issn.1001-0505.2014.06.012
摘要:
采用分子动力学方法研究了硅表面微结构对表面润湿方向性的影响,采用3种不同的微结构探讨了水滴在表面上的扩散方向问题,以及微结构尺寸对表面润湿性的影响.研究结果表明,表面微结构宽度存在临界宽度值,当微结构宽度小于临界宽度时表面表现为疏水性,反之,亲水性增强;在疏水性表面上,水的铺展性表现为各向同性,水滴稳定后俯视图近似为圆形,在亲水性表面,水的铺展性表现为各向异性,表面微结构形状不同,水滴稳定后呈现不同的特殊形状.
Abstract:
Molecular dynamics simulation is used to study the wetting effects of silicon surface microstructure on the wetting direction of microstructure. The spreading direction of water droplets on surfaces of three different microstructures, together with the influence of the size of micro-structures on the surface, are discussed. The results show that there is a critical width value for different microstructures. A hydrophobic surface is formed when the microstructure width is smaller than its critical size. Otherwise, a hydrophilic surface is formed. When a surface is hydrophobic, the spread of water droplet is isotropic, showing a sphere shape approximately in a top view after it is stable. When a surface is hydrophilic, the micro-droplet spreads anisotropically, leading to different special steady shapes due to the difference of microstructure shape.

参考文献/References:

[1] Thornham D G, Smith J M, Grafe T U, et al. Setting the trap: cleaning behaviour of Camponotus schmitzi ants increases long-term capture efficiency of their pitcher plant host, Nepenthes bicalcarata [J]. Functional Ecology, 2012, 26(1): 11-19.
[2] Goicochea J V, Hu M, Michel B, et al. Surface functionalization mechanisms of enhancing heat transfer at solid-liquid interfaces [J]. Journal of Heat Transfer, 2011, 133(8): 082401.
[3] Wong C H, Li B, Yu S K, et al. Molecular dynamics simulation of lubricant redistribution and transfer at near-contact head-disk interface [J]. Tribology Letter, 2011, 43(1): 89-99.
[4] 彭滟,温雅,张冬生,等. 飞秒激光功率与脉冲数的比例关系对制备硅表面微结构的影响 [J]. 中国激光,2011, 38(12): 1203005.
  Peng Yan, Wen Ya, Zhang Dongsheng, et al. Effect of the relation between femtosecond laser power and pulse number for fabrication surface-microstructured silicon [J]. Chinese J Lasers, 2011, 38(12): 1203005.(in Chinese)
[5] Chu D, Nemoto A, Ito H. Effects of geometric parameters for superhydrophobicity of polymer surfaces fabricated by precision tooling machines [J]. Microsyst Technol, 2014, 20(2): 193-200.
[6] Extrand C W, Moon S I, Hall P, et al. Superwetting of structured surfaces [J]. Langmuir, 2007, 23(17): 8882-8890.
[7] Alteraifi A M, Sasa B J. Spreading of liquid drops over solid substrates: ‘like wets like’ [J]. Journal of Adhesion Science and Technology, 2006, 20(12): 1333-1343.
[8] Hautman J, Klein M L. Microscopic wetting phenomena [J]. Physical Review Letters, 1991, 67(13): 1763-1766.
[9] Lundgren M, Allan N L, Cosgrove T. Molecular dynamics study of wetting of a pillar surface [J]. Langmuir, 2003, 19(17): 7127-7129.
[10] Li X Y, Li L, Wang Y, et al. Wetting and interfacial properties of water on the defective graphene [J]. The Journal of Physical Chemistry C, 2013, 117(27): 14106-14112.
[11] Yen T-H. Wetting characteristics of nanoscale water droplet on silicon substrates with effects of surface morphology [J]. Molecular Simulation, 2011, 37(9): 766-778.
[12] Kimura T, Maruyama S. A molecular dynamics simulation of water droplet in contact with a platinum surface [J]. Heat Transfer, 2002, 1: 537-542.
[13] Jorgensen W L, Chandrasekhar J, Madura J D, et al. Comparison of simple potential functions for simulating liquid water [J]. The Journal of Chemical Physics, 1983, 79(2): 926-935.
[14] Miyamoto S, Kollman P A. SETTLE: an analytical version of the SHAKE and RATTLE algorithm for rigid water models [J]. Journal of Computational Chemistry, 1992, 13(8): 952-962.
[15] Yeh I-C, Berkowitz M L. Ewald summation for systems with slab geometry [J]. The Journal of Chemical Physics, 1999, 111(7): 3155-3162.
[16] Berendsen H J C, Grigera J R, Straatsma T P. The missing term in effective pair potentials [J]. The Journal of Physical Chemistry, 1987, 91(24): 6269-6271.

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备注/Memo

备注/Memo:
收稿日期: 2014-05-25.
作者简介: 王玉娟(1974—),女,博士,副教授,yujuanwang@163.com.
基金项目: 国家自然科学基金资助项目(51345012).
引用本文: 王玉娟,郭亚杰,裘英华,等.硅表面微结构对表面润湿方向性影响的分子动力学研究[J].东南大学学报:自然科学版,2014,44(6):1161-1165. [doi:10.3969/j.issn.1001-0505.2014.06.012]
更新日期/Last Update: 2014-11-20