Sonoluminescence is light emission associated with the catastrophic collapse of bubble oscillation under ultrasound. Molecular dynamics (MD) simulation of collapsing bubbles with micro and nano size equilibrium radii was performed and the results were compared with the theoretical calculations. With proper value of the thermal accommodation coefficients at the bubble wall, the MD simulation results for the bubble wall velocity, the gas temperature and pressure around the collapse point for the sonoluminescing bubbles are in acceptable agreement with theoretical predictions. Our study also revealed that the collapsing process of a sonoluminescing gas bubble proceeds almost adiabatically.

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