Modeling nanoscale ice adhesion

Abstract

Anti-icing is crucial for numerous instruments and devices in low temperature circumstance. One of the approaches in anti-icing is to reduce ice adhesion strength, seeking spontaneous de-icing processes by natural forces of gravity or by winds. In order to enable tailored surface icephobicity design, research requires a good theoretical understanding of the atomistic interacting mechanisms between water/ice molecules and their adhering substrates. Herein, this work focuses on using atomistic modeling and molecular dynamics simulation to build a nanosized ice-cube adhering onto silicon surface, with different contact modes of solid–solid and solid–liquid–solid patterns. This study provides atomistic models for probing nanoscale ice adhesion mechanics and theoretical platforms for explaining experimental results.