Molecular dynamics simulation of thermal de-icing on a flat surface

The accumulation of ice has adverse effects on human activities but the dynamic mechanism icing and de-icing not been well clarified. Herein, molecular dynamics (MD) simulations analysis methods hydrogen bond tetrahedral order parameter are used for first time to investigate underpinning physics visualize thermal process a flat wall from level. thickness (H), temperature (Tw) wettability examined. results indicate that starts melt its mantle then proceeds inwards. energy consumption can be modelled as bilinear function Tw H. melting is almost with respect H 1/(Tw-273.15K), converges constant value at Tw?313.15K. When adopting hydrophobic surface, which generally considered icephobic prevents accretion, more required ice. By revealing processes hot surface molecule level, this work offers guidance development techniques devices applied extensively in engineering applications.