| Molecular Dynamics (MD) techniques are uniquely suited for simulating sonoluminescing bubbles, thanks to the bubbles' small size. Unlike hydrodynamic methods, MD does not assume local thermodynamic equilibrium, neither does it require knowledge of equation of state and transport properties at high pressures and temperatures. Full-scale MD simulations of experimentally observable bubbles, however, are still too expensive computationally. A symmetry reduction technique that makes use of the bubble's spherical symmetry is proposed. This technique is shown to be capable of manifold reduction of the machine time required to simulate a bubble collapse, while the few artifacts introduced by it are carefully analyzed.;The model developed is then applied to a variety of experimentally observed bubbles, in particular to a class of "extreme" bubbles with collapse ratios of around 25:1. It is shown that different noble gases exhibit vastly different behaviors under such conditions, largely explained by the difference in the speed of sound at a given temperature. Heavier gases generate strong shock waves and reach much higher temperatures than lighter gases. However if a small amount of lighter gas is added to the heavier gas, the two gases will segregate, often completely, during the final stage of the collapse, resulting in the lighter gas being trapped in the center of the bubble and heating up to temperatures by several orders of magnitude exceeding those attained with the lighter gas alone.;While the simulations presented in this work constitute an approach to a well defined mathematical problem they have been carried out with goal of gaining insight into a real phenomenon: light emission from a rapidly collapsing bubble of gas. In this process---sonoluminescence---acoustic energy density concentrates by at least 12 orders of magnitude to generate picosecond flashes of ultraviolet light. The simulations in this dissertation are aimed at explaining and predicting the experimental parameters which could lead to even greater levels of energy focusing in these bubbly systems. |
