4.5 Article

Investigation of the effects of surface wettability and surface roughness on nanoscale boiling process using molecular dynamics simulation

Journal

NUCLEAR ENGINEERING AND DESIGN
Volume 382, Issue -, Pages -

Publisher

ELSEVIER SCIENCE SA
DOI: 10.1016/j.nucengdes.2021.111400

Keywords

Molecular dynamics simulation; Explosive boiling; Wettability; Rough surface; Bubble nucleation

Funding

  1. Research Grants Council of the Hong Kong Special Administrative Region, China [CityU 11212219]
  2. Fundamental Research Funds for the Central Universities [3132021114]
  3. Dalian Maritime University [02503021]

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The study investigates the nanoscale liquid-vapor phase change process of argon above solid copper substrates with different surface wettability and roughness, and finds that variations in wettability and surface roughness significantly impact the heat transfer and evaporation rate. Increased wettability enhances heat transfer and evaporation flux, while surface roughness advances the boiling inception and increases the evaporation rate.
The nanoscale liquid-vapor phase change process of argon above solid copper substrates with different surface wettability and surface roughness are studied with the help of nonequilibrium molecular dynamics simulations. The contact angles of an argon droplet on the copper solid substrate with different potential parameters are determined by the circle fitting function. With a constant temperature thermostat applied on the solid substrate, the liquid argon atoms absorbed energy. It was found that the increase of argon wettability on solid copper surfaces could enhance the heat transfer between the solid and fluid atoms and also the evaporation mass flux of liquid argon. The bubble nucleation time was advanced as well by the increased wettability. Moreover, the effect surface roughness generated using a multivariable Weierstrass-Mandelbrot function on the nanoscale boiling process was also investigated. The rough structures on the substrate could further advance the boiling inception and increase the evaporation rate. The energy transfer between the solid and fluid atoms become more efficient with the surface rough textures.

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