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Induction of Microstreaming by Nonspherical Bubble Oscillations in an Acoustic Levitation System

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Homogeneous bubble nucleation driven by local hot spots: a molecular dynamics study.

Zun-Jing Wang¹, Chantal Valeriani, Daan Frenkel

¹FOM Institute for Atomic and Molecular Physics, Amsterdam, The Netherlands.

The Journal of Physical Chemistry. B

|November 15, 2008

Summary

Homogeneous bubble nucleation in fluids begins with compact bubbles, not ramified structures. Molecular dynamics simulations using forward-flux sampling reveal higher nucleation rates than classical nucleation theory predicts.

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Published on: January 10, 2017

Area of Science:

Physical Chemistry
Computational Fluid Dynamics
Materials Science

Background:

Understanding homogeneous bubble nucleation is crucial for various physical and chemical processes.
Previous theories, such as Shen and Debenedetti's, suggested ramified structures initiate cavitation.
Classical nucleation theory (CNT) provides a framework but may not capture all dynamic nuances.

Purpose of the Study:

To investigate the initial morphology of homogeneous bubble nucleation in a Lennard-Jones fluid.
To accurately estimate the rate of bubble nucleation using advanced simulation techniques.
To compare simulation results with predictions from classical nucleation theory (CNT).

Main Methods:

Employed molecular dynamics (MD) simulations to model bubble nucleation.
Utilized forward-flux sampling (FFS) to estimate the nucleation rate.
Analyzed the structural characteristics of nascent bubbles and correlated them with local temperature fluctuations.

Main Results:

Cavitation initiates with compact bubble structures, contradicting previous suggestions of ramified formations.
The estimated bubble nucleation rate from FFS simulations exceeds predictions from CNT.
Strong correlation observed between local temperature fluctuations and subsequent bubble formation, a factor absent in CNT.

Conclusions:

Homogeneous bubble nucleation in Lennard-Jones fluids proceeds via compact structures.
The study highlights the limitations of CNT in explaining nucleation rates and mechanisms.
Local temperature fluctuations play a significant role in bubble nucleation dynamics.