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We present results from direct, large-scale molecular dynamics (MD)simulations of homogeneous bubble (liquid-to-vapor) nucleation. The simulationscontain half a billion Lennard-Jones (LJ) atoms and cover up to 56 milliontime-steps. The unprecedented size of the simulated volumes allows us toresolve the nucleation and growth of many bubbles per run in simple directmicro-canonical (NVE) simulations while the ambient pressure and temperatureremain almost perfectly constant. We find bubble nucleation rates which arelower than in most of the previous, smaller simulations. It is widely believedthat classical nucleation theory (CNT) generally underestimates bubblenucleation rates by very large factors. However, our measured rates are withintwo orders of magnitude of CNT predictions - only at very low temperatures doesCNT underestimate the nucleation rate significantly. Introducing a small,positive Tolman length leads to very good agreement at all temperatures, asfound in our recent vapor-to-liquid nucleation simulations. The criticalbubbles sizes derived with the nucleation theorem agree well with the CNTpredictions at all temperatures. Local hot spots reported in the literature arenot seen: Regions where a bubble nucleation events will occur are not above theaverage temperature, and no correlation of temperature fluctuations withsubsequent bubble formation is seen.

Direct Simulations of Homogeneous Bubble Nucleation: Agreement with CNT and no Local Hot Spots