Molecular dynamics simulation on bubble formation in a nanochannel

Nagayama, Gyoko; Tsuruta, Takaharu; Cheng, Ping

doi:10.1016/j.ijheatmasstransfer.2006.04.030

Cited by 172 publications

(84 citation statements)

References 17 publications

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“…Here, it is emphasized that ϵ * = 1.0 means that the potential for liquid-wall interaction is the same as that for the liquid-liquid interactions. From the previous MD simulations, 10,15,16 the static contact angles for ϵ * = 7.1, 1.0, and 0.05 become about 0 • , 0 • , and 180 • , respectively. The following harmonic oscillator potential was used to represent the interaction of the wall molecules:…”

Section: Methodsmentioning

confidence: 80%

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Early stage of nanodroplet impact on solid wall

et al. 2016

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In this study, we investigated nanodroplet spreading at the early stage after the impact using molecular dynamics simulations by changing the magnitude of the intermolecular force between the liquid and wall molecules. We showed that the droplet deformation after the impact greatly depends on the intermolecular force. The temporal evolution of the spreading diameters was measured by the cylindrical control volume for several molecular layers in the vicinity of the wall. At the early stage of the nanodroplet impact, the normalized spreading radius of the droplet is proportional to the square root of the normalized time,t. This result is understood by the geometrical consideration presented by Rioboo et al.["Time evolution of liquid drop impact onto solid, dry surfaces," Exp. Fluids 33, 112-124 (2002)]. In addition, we found that as the intermolecular force between the liquid and wall becomes stronger, the normalized spreading diameter of the first molecular layer on the wall remains less dependent on the impact velocity. Furthermore, the time evolution of the droplet spreading changes from √t to logt with time. C 2016 AIP Publishing LLC.

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Section: Methodsmentioning

confidence: 80%

“…Previous MD simulations 10,13,15,16 have shown that the contact angle changes with changes in α and β. In this study, the value of β is fixed as β = 1.0.…”

Section: Methodsmentioning

confidence: 98%

Early stage of nanodroplet impact on solid wall

et al. 2016

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“…At the initial time the particles were given velocities according to the MaxwellBoltzmann distribution. The Velocity-Verlet algorithm is used in MD [10]. NVT ensemble was used before equilibration at temperature 78 K. The cell index method is adopted in calculation of force acted on atoms.…”

Section: Computer Simulation and Resultsmentioning

confidence: 99%

On the applicability of Young–Laplace equation for nanoscale liquid drops

Yan

Wei²,

Cui

et al. 2016

Russ. J. Phys. Chem.

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Abstract-Debates continue on the applicability of the Young-Laplace equation for droplets, vapor bubbles and gas bubbles in nanoscale. It is more meaningful to find the error range of the Young-Laplace equation in nanoscale instead of making the judgement of its applicability. To do this, for seven liquid argon drops (containing 800, 1000, 1200, 1400, 1600, 1800, or 2000 particles, respectively) at T = 78 K we determined the radius of surface of tension and the corresponding surface tension by molecular dynamics simulation based on the expressions of and in terms of the pressure distribution for droplets. Compared with the two-phase pressure difference directly obtained by MD simulation, the results show that the absolute values of relative error of two-phase pressure difference given by the Young-Laplace equation are between 0.0008 and 0.027, and the surface tension of the argon droplet increases with increasing radius of surface of tension, which supports that the Tolman length of Lennard-Jones droplets is positive and that Lennard-Jones vapor bubbles is negative. Besides, the logic error in the deduction of the expressions of the radius and the surface tension of surface of tension, and in terms of the pressure distribution for liquid drops in a certain literature is corrected.

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“…Maruyama et al [21] simulated a heterogeneous bubble nucleation by expanding two surfaces that bounds the fluid. Nagayama et al [22] simulated a spontaneous bubble nucleation by creating a system with metastable fluid as an initial configuration. These bubble-liquid systems were different from heat induced boiling, but the phase change process under their conditions was successfully reproduced.…”

Section: Background and Literature Reviewmentioning

confidence: 99%