空化
分子动力学
润湿
材料科学
空隙(复合材料)
体积分数
化学物理
化学
机械
热力学
复合材料
计算化学
物理
作者
Dongwei Zhang,Jian Guan,Mingzhi Li,Songxuan Chen,Songzhen Tang,Xiaoliang Ha,Jiangbao Song
出处
期刊:Langmuir
[American Chemical Society]
日期:2023-09-05
卷期号:39 (37): 12975-12986
被引量:1
标识
DOI:10.1021/acs.langmuir.3c00755
摘要
Cavitation has been the subject of abundant studies, but the internal mechanism of cavitation is less well known. In this article, a microlevel near-wall model was established by using LAMMPS to present the process of cavitation effect. The results of molecular dynamics simulation revealed the fluctuation process of the liquid near the wall with the change in pressure. Molecular dynamics was also used to evaluate the void volume fraction and density distribution of the system. The results exhibited that the cavitation process can be divided into two stages: the initial cavitation stage and the rapid growth stage. Based on these results, the effects of wettability and initial system temperature on the near-wall cavitation effect were demonstrated. The results indicated that the hydrophobic near-wall forms a gas layer to weaken the density fluctuation, while the hydrophilic wall is opposite. Increasing the temperature could positively affect molecular motion and cavitation. This work provides a theoretical basis for further exploration of the cavitation effect.
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