Molecular dynamics simulation of shock-induced microscopic bubble collapse

Abstract

Shock waves and micro-jets generated during the process of bubble collapse lead to cavitation damage on the surface of materials in hydraulic machinery equipment parts, which is attention. However, research on the dynamics of bubble collapse is still unclear. In this work, molecular dynamics (MD) simulations are used to study the compression and collapse processes of microscopic bubbles under the impact of different velocities for water molecules. The velocities of the shock wave, time of bubble collapse and shock pressure of collapse were obtained. Results showed that higher the impact velocity, shorter is the time of bubble collapse and the higher velocity of the micro-jet. After the bubble collapse, the micro-jet will form secondary water hammer shocks and a greater shock pressure. The water structure appears to undergo a phase change (ice-VII structure) when the velocity of water molecules is 1.0 km s⁻¹. The shock induces the bubble collapse and the micro-jet significantly increases the chemical activity of water molecules; the degree of ionization of water molecules increases with the shock velocity. In addition, the Hugoniot curve of the shock velocity obtained by molecular dynamics simulations are in good agreement with the experimental data.