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Condensation and frost formation degrade the heat transfer performance ofair-conditioners and refrigerators. Yet, the frost formation mechanism has notbeen fully understood. In the present study, we numerically investigated H2Odroplets during cooling and ice formation by means of classical moleculardynamics simulations. The mW potential was employed for the H2O molecules. Ananoscale H2O droplet was placed on a flat solid wall consisting of Pt atoms.The fcc (110) crystal plane faced the droplet. We examined where ice nucleationwas formed and how the ice formation proceeded inside the droplet, and thenevaluated temporal change in interfacial thermal resistance between the H2Omolecules and the solid wall. We found that the cooling and ice formationchanged the interfacial thermal resistance; however, its tendency differeddepending on the solid-wall wettability. It was influenced by the nearestneighbor adsorption layer consisting of H2O molecules transformed during thecooling and ice formation.

Molecular Dynamics Study of Droplets on Flat Crystalline Surface during Cooling and Ice formation