Surface Topography Effects on Pool Boiling via Non-equilibrium Molecular Dynamics Simulations

Lavino, Alessio D.; Smith, Edward R.; Magnini, Mirco; Matar, Omar

doi:10.1021/acs.langmuir.1c00779

Cited by 28 publications

(4 citation statements)

References 52 publications

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“…The LJ potential provides an effective way to define the force field and capture the interatomic interactions within the system. [35][36][37] U = 4e ij…”

Section: Simulation Methodsmentioning

confidence: 99%

Pool boiling simulation using molecular dynamics approach: Comparing the effectiveness of adding nanoparticles versus creating porous nanostructures

Hajebzadeh,

Abedini,

Adibi

et al. 2024

Proceedings of the Institution of Mechanical Engineers, Part C:

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This paper presents the pool boiling process of argon atoms on the copper surface by employing molecular dynamics simulation. Through the application of molecular dynamics simulation, this study explores three cases: the plain surface, and adding platinum and aluminum nanoparticles to the argon fluid. The main objective is to offer a comprehensive comparative analysis to highlight the significance and innovation of this research. The investigation aims to assess the effectiveness of two methods for improving heat transfer: the addition of nanoparticles to the base fluid and the creation of porous nanostructure. By subjecting these approaches to identical simulation conditions, an enthralling evaluation unfolds. The simulation framework is first validated, and then the results are presented and compared with the case of creating porous geometry. The results reveal that while the evaporation rate has a similar impact in both cases, creating porous geometry results in a 3.68% higher argon temperature compared to adding nanoparticles. On the other hand, adding nanoparticles enhances the maximum heat flux by approximately 15% more than creating porous geometry. This research compares two approaches to offer valuable investigations and insights into enhancing heat transfer efficiency due to the growing demand for strategies that promote heat transfer.

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“…The LJ potential provides an effective way to define the force field and capture the interatomic interactions within the system. [35][36][37] U = 4e ij…”

Section: Simulation Methodsmentioning

confidence: 99%

Pool boiling simulation using molecular dynamics approach: Comparing the effectiveness of adding nanoparticles versus creating porous nanostructures

Hajebzadeh,

Abedini,

Adibi

et al. 2024

Proceedings of the Institution of Mechanical Engineers, Part C:

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show abstract

“…However, some simulation method can analyze the effects of different wettability surfaces on bubble nucleation at a micro scale. Lavino et al (2021) showed bubble nucleation can occur even in narrow cavities on hydrophobic surface by non-equilibrium molecular dynamics simulation method. This also confirms the previous conclusion that bubble nucleation is more likely to occur on hydrophobic surfaces.…”

Section: Bubble Dynamics On the Homogeneous Wetting Surfacementioning

confidence: 99%

Recent Advances of Surface Wettability Effect on Flow Boiling Heat Transfer Performance

Cao¹,

Yang²,

Zhao³

et al. 2022

Frontiers in Heat and Mass Transfer

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“…Boiling is as an exemplary illustration of a multiscale process. The sequence initiates with the heterogeneous nucleation of nanoscale bubbles due to molecular-level interactions between the fluid and the heated surface [1]. These bubbles undergo growth as the liquid transforms into vapor along the liquid-vapor interface.…”

Section: Introductionmentioning

confidence: 99%

A hybrid atomistic-continuum framework for multiscale simulations of boiling

Gennari,

Smith,

Pringle

et al. 2024

J. Phys.: Conf. Ser.

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Boiling is a multiscale physics process where the nucleation of vapour bubbles occurs due to molecular-scale interactions between the fluid and a heated wall, but it also depends on the larger-scale hydrodynamics and thermal boundary layers determined by the outer system boundary conditions. Modelling boiling from the nanometre up to the millimetre scales at which bubble departure occurs is not possible via state-of-the-art simulation methods: Molecular Dynamics (MD) simulations can capture nucleation from first principles but are limited to nanometre scales due to their computational cost, whereas computational fluid dynamics (CFD) simulations based on the continuum Navier-Stokes equations cannot capture nucleation. Here, we present a novel multiscale simulation method which merges MD and CFD descriptions into a single modelling framework, where MD resolves the near-wall region where molecular interactions are important, and a CFD solver resolves the bulk flow. We model the progressive heating of a Lennard-Jones fluid via contact with a solid wall until a vapour bubble nucleates in the MD region of the domain and grows by entering in the CFD domain. Our results show that an incompressible CFD flow model based on the Volume Of Fluid method with interphase mass transfer calculated via the Hertz-Knudsen-Schrage equation is sufficient to obtain seamless coupling of phase fraction, velocity and temperature fields, with the hybrid MD-CFD framework yielding bubble dynamics closely matching those of MD alone.

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Surface Topography Effects on Pool Boiling via Non-equilibrium Molecular Dynamics Simulations

Cited by 28 publications

References 52 publications

Pool boiling simulation using molecular dynamics approach: Comparing the effectiveness of adding nanoparticles versus creating porous nanostructures

Pool boiling simulation using molecular dynamics approach: Comparing the effectiveness of adding nanoparticles versus creating porous nanostructures

Recent Advances of Surface Wettability Effect on Flow Boiling Heat Transfer Performance

A hybrid atomistic-continuum framework for multiscale simulations of boiling

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