Atomistic-continuum multiscale simulations of nonequilibrium wetting phenomena

Purpose and goal

Wetting phenomena, where a liquid spreads over a dry surface, is an important physical phenomenon, underlying a wide range of engineering applications. The study of dynamic wetting is however a phenomenon that is far from understood, with widely different length scales interacting. In the project we have come a long way towards the goal of developing models that explain how surface structure influences the spreading speed of a contact line, and we have clarified the importance of the contact line friction.

Expected results and effects

I expect that the technical results should somewhat change how the scientific community views dynamic wetting. Given time this could enable the design of processes where dynamic wetting is important, which in its turn should enable new devices and innovations in for instance microfluidics. Since the project has enabled me to visit The University of Tokyo regularly over several years, I have had the opportunity to help strengthening the relation between KTH and UT, and to aid in preparing for a formal collaboration agreement between UT and the three Stockholm universities KTH, KI and SU.

Planned approach and implementation

In the proposed work we have used simulation tools that bridge the molecular scale and the continuum scale, together with physical experiments. We have used the expertise in experimental nano-science and molecular dynamics simulations of the Japanese partner, together with the experience on continuum modeling and the fluid dynamics of wetting of the Swedish partner.