纳米凹槽表面结冰的分子动力学模拟研究
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摘要:
采用分子动力学模拟方法建立了水在金表面结冰的模型,在疏水表面上引入亲水纳米凹槽结构,模拟研究了纳米凹槽表面上的冰成核过程,揭示了凹槽深宽比对冰成核的影响规律和机制.结果表明,在疏水表面引入亲水纳米凹槽结构并改变表面的凹槽宽度,可以调节疏水表面的结冰过程.当纳米凹槽与六边形冰结构相匹配时,凹槽内部更容易形成冰核,可以提高疏水表面的冰成核率的效果,其表面成核率接近与亲水表面成核率.当纳米凹槽结构与六边形冰结构不匹配时,凹槽内不易形成冰核,结冰过程受到抑制.为提高疏水表面成核率提供了新方法,为控制疏水表面冰成核位置和冰生长方向提供了新思路.
In this work,the molecular dynamics method was employed to study the icing nucleation and ice growth processes on gold surfaces with nano-grooves.The influence of changing the groove width on nucleation is emphatically analyzed.It is found that the nucleation rate of a hydrophobic surface can be improved by introducing hydrophilic nano-grooves.For a nano-groove with its size close to the hexagonal ice structure,the ice nucleation rate of the groove surface can be even close to ice nucleation rate on a hydrophilic surface.For a nano-groove which cannot form a critical ice nucleus in the restricted water molecules in the groove,the groove surface still largely inhibits the ice nucleation.This paper provides a new method to improve ice nucleation on hydrophobic surface from the perspective of nano-constraint effect.
作者:
王军 张悦 夏国栋
Wang Jun;Zhang Yue;Xia Guodong(MOE Key Laboratory of Enhanced Heat Transfer and Energy Conservation,Beijing Key Laboratory of Heat Transfer and Energy Conversion,Beijing University of Technology,Beijing 100124,China)
机构地区:
北京工业大学传热强化与过程节能教育部重点实验室
引用本文:
《betway官方app 学报(自然科学版)》 CAS 2024年第1期93-99,F0002,共8页
Journal of Henan Normal University(Natural Science Edition)
基金:
国家自然科学基金(51776007)。
关键词:
冰成核 凹槽表面 纳米结构
ice nucleation groove surface nano-structure
分类号:
TK124 [动力工程及工程热物理—工程热物理]
