Near-Wall Cavitation Effect: A Molecular Dynamics Study

DW Zhang and J Guan and MZ Li and SX Chen and SZ Tang and XL Ha and JB Song, LANGMUIR, 39, 12975-12986 (2023).

DOI: 10.1021/acs.langmuir.3c00755

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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