Simple improvements to classical bubble nucleation models

Tanaka, Kyoko; Tanaka, Hidekazu; Angélil, Raymond; Diemand, Juerg

doi:10.1103/physreve.92.022401

Cited by 43 publications

(34 citation statements)

References 51 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…We carry out computer simulations of the truncated and force-shifted Lennard-Jones (TSF-LJ) potential [8], a model for which bubble cavitation has been previously studied [8][9][10] [8]. The isobar for which bubble cavitation has been studied, P * = 0.026, is indicated with a horizontal dashed line.…”

Section: Simulation Detailsmentioning

confidence: 99%

“…This means that special rare event simulation techniques are required to observe such process in a simulation. Thus, Forward Flux Sampling [8,9], Umbrella Sampling [9], or brute force Molecular Dynamics simulations with huge systems [10] have been used to study bubble cavitation in atomic Lennard Jones fluids, or Umbrella Sampling and Path Sampling have been used to study such phenomenon in molecular liquids such as water [11].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Seeding approach to bubble nucleation in superheated Lennard-Jones fluids

et al. 2019

View full text Add to dashboard Cite

We investigate vapor homogeneous nucleation in a superheated Lennard Jones liquid with computer simulations. Special simulation techniques are required to address this study since the nucleation of a critical vapor bubble -one that has equal chance to grow or shrink-in a moderately superheated liquid is a rare event. We use the Seeding method, that combines Classical Nucleation Theory with computer simulations of a liquid containing a vapor bubble to provide bubble nucleation rates in a wide temperature range. Seeding has been successfully applied to investigate the nucleation of crystals in supercooled fluids and here we apply it for the fist time -to the best of our knowledge-to the liquid-to-vapor transition. We find that Seeding provides nucleation rates that are consistent with independent calculations not based on the assumptions of Classical Nucleation Theory. Different criteria to determine the radius of the critical bubble give different rate values. The accuracy of each criterion depends of the degree of superheating. Moreover, Seeding simulations show that the surface tension depends on pressure for a given temperature. Therefore, using Classical Nucleation Theory with the coexistence surface tension does not provide good estimates of the nucleation rate.

show abstract

Section: Simulation Detailsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Seeding approach to bubble nucleation in superheated Lennard-Jones fluids

et al. 2019

View full text Add to dashboard Cite

show abstract

“…Critical nuclei are in chemical and mechanical equilibrium with the surrounding fluid while non-critical nuclei (or unstable nanobubbles) cannot be in mechanical and chemical equilibrium except in small systems with a fixed volume and number of particles. In such cases, the more modern approaches to compute the free energy [17][18][19] can be used. However, in the present work we focus on bubbles that are both in mechanical and chemical equilibrium with the surrounding fluid at constant pressure, in which case eq.…”

mentioning

confidence: 99%

What experiments on pinned nanobubbles can tell about the critical nucleus for bubble nucleation

et al. 2017

View full text Add to dashboard Cite

Abstract. The process of homogeneous bubble nucleation is almost impossible to probe experimentally, except near the critical point or for liquids under large negative tension. Elsewhere in the phase diagram, the bubble nucleation barrier is so high as to be effectively insurmountable. Consequently, there is a severe lack of experimental studies of homogenous bubble nucleation under conditions of practical importance (e.g., cavitation). Here we use a simple geometric relation to show that we can obtain information about the homogeneous nucleation process from Molecular Dynamics studies of bubble formation in solvophobic nanopores on a solid surface. The free energy of pinned nanobubbles has two extrema as a function of volume: one state corresponds to a free-energy maximum ("the critical nucleus"), the other corresponds to a free-energy minimum (the metastable, pinned nanobubble). Provided that the surface tension does not depend on nanobubble curvature, the radius of the curvature of the metastable surface nanobubble is independent of the radius of the pore and is equal to the radius of the critical nucleus in homogenous bubble nucleation. This observation opens the way to probe the parameters that determine homogeneous bubble nucleation under experimentally accessible conditions, e.g. with AFM studies of metastable nanobubbles. Our theoretical analysis also indicates that a surface with pores of different sizes can be used to determine the curvature corrections to the surface tension. Our conclusions are not limited to bubble nucleation but suggest that a similar approach could be used to probe the structure of critical nuclei in crystal nucleation.Bubble nucleation is a very common process but the observation of truly homogenous bubble nucleation is very rare [1]. The reason is that the free-energy barrier for homogenous bubble nucleation tends to be very high (order 10 3 -10 4 eV), except near the critical point (typical T > 0.9T c ) where the surface tension is very low, or under conditions of extreme under-pressure [2]. For this reason, bubble nucleation under less extreme circumstances (e.g., bubble formation in boiling water) is always dominated by heterogeneous nucleation. The rate of heterogeneous nucleation is normally extremely sensitive to the properties of the surface, in particular to the value of the solid-liquid and solid-vapor surface free energies. Hence, normally, heterogeneous bubble nucleation does not provide direct information about the homogenous nucleation process.Supplementary material in the form of a .pdf file available from the Journal web page at http://dx.doi.org/10.1140/epje/i2017-11604-7 a e-mail: df246@cam.ac.uk b e-mail: jd489@cam.ac.uk c e-mail: zhangxr@mail.buct.edu.cnThe situation is very different in the case of welldefined hydrophobic (or, more generally, "solvophobic") nanopores in a hydrophilic ("solvophilic") surface. Inside these pores, vapor may nucleate easily, sometimes even at a pressure where the bulk liquid is still thermodynamically stable. As the pressure of t...

show abstract

“…• The microbubble thermophysical properties are assumed to be the same as in a planar, static, isothermal interface in equilibrium between bulk liquid and bulk vapor. The inclusion of a more realistic surface tension, specifically, its dependence on bubble size [28,29], should be addressed in future refinement of the model.…”

Section: Comparison To Theorymentioning

confidence: 99%

Molecular dynamics simulations of bubble nucleation in dark matter detectors

2016

Self Cite

View full text Add to dashboard Cite

Bubble chambers and droplet detectors used in dosimetry and dark matter particle search experiments use a superheated metastable liquid in which nuclear recoils trigger bubble nucleation. This process is described by the classical heat spike model of F. Seitz [Phys. Fluids (1958-1988) 1, 2 (1958)PFLDAS0031-917110.1063/1.1724333], which uses classical nucleation theory to estimate the amount and the localization of the deposited energy required for bubble formation. Here we report on direct molecular dynamics simulations of heat-spike-induced bubble formation. They allow us to test the nanoscale process described in the classical heat spike model. 40 simulations were performed, each containing about 20 million atoms, which interact by a truncated force-shifted Lennard-Jones potential. We find that the energy per length unit needed for bubble nucleation agrees quite well with theoretical predictions, but the allowed spike length and the required total energy are about twice as large as predicted. This could be explained by the rapid energy diffusion measured in the simulation: contrary to the assumption in the classical model, we observe significantly faster heat diffusion than the bubble formation time scale. Finally we examine α-particle tracks, which are much longer than those of neutrons and potential dark matter particles. Empirically, α events were recently found to result in louder acoustic signals than neutron events. This distinction is crucial for the background rejection in dark matter searches. We show that a large number of individual bubbles can form along an α track, which explains the observed larger acoustic amplitudes.

show abstract

Simple improvements to classical bubble nucleation models

Cited by 43 publications

References 51 publications

Seeding approach to bubble nucleation in superheated Lennard-Jones fluids

Seeding approach to bubble nucleation in superheated Lennard-Jones fluids

What experiments on pinned nanobubbles can tell about the critical nucleus for bubble nucleation

Molecular dynamics simulations of bubble nucleation in dark matter detectors

Contact Info

Product

Resources

About