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Direct simulations of homogeneous bubble nucleation: Agreement with classical nucleation theory and no local hot spots

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Title: Direct simulations of homogeneous bubble nucleation: Agreement with classical nucleation theory and no local hot spots
Authors: Diemand, Juerg Browse this author
Angelil, Raymond Browse this author
Tanaka, Kyoko K. Browse this author →KAKEN DB
Tanaka, Hidekazu Browse this author →KAKEN DB
Issue Date: 21-Nov-2014
Publisher: American Physical Society
Journal Title: Physical review E
Volume: 90
Issue: 5
Start Page: 52407
Publisher DOI: 10.1103/PhysRevE.90.052407
PMID: 25493803
Abstract: We present results from direct, large-scale molecular dynamics simulations of homogeneous bubble (liquid-to-vapor) nucleation. The simulations contain half a billion Lennard-Jones atoms and cover up to 56 million time steps. The unprecedented size of the simulated volumes allows us to resolve the nucleation and growth of many bubbles per run in simple direct micro-canonical simulations while the ambient pressure and temperature remain almost perfectly constant. We find bubble nucleation rates which are lower than in most of the previous, smaller simulations. It is widely believed that classical nucleation theory (CNT) generally underestimates bubble nucleation rates by very large factors. However, our measured rates are within two orders of magnitude of CNT predictions; only at very low temperatures does CNT underestimate the nucleation rate significantly. Introducing a small, positive Tolman length leads to very good agreement at all temperatures, as found in our recent vapor-to-liquid nucleation simulations. The critical bubbles sizes derived with the nucleation theorem agree well with the CNT predictions at all temperatures. Local hot spots reported in the literature are not seen: Regions where a bubble nucleation event will occur are not above the average temperature, and no correlation of temperature fluctuations with subsequent bubble formation is seen.
Rights: ©2014 American Physical Society
Type: article
Appears in Collections:低温科学研究所 (Institute of Low Temperature Science) > 雑誌発表論文等 (Peer-reviewed Journal Articles, etc)

Submitter: 田中 秀和

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