English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Zendy Plus

Presents the access of premium content as premium feature

Premium Content

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Zendy Tools

Zendy Open

We introduce an accurate and efficient method for characterizing surfacewetting and interfacial properties, such as the contact angle made by a liquiddroplet on a solid surface, and the vapor-liquid surface tension of a fluid.The method makes use of molecular simulations in conjunction with the indirectumbrella sampling technique to systematically wet the surface and estimate thecorresponding free energy. To illustrate the method, we study the wetting of afamily of Lennard-Jones surfaces by water. We estimate contact angles forsurfaces with a wide range of attractions for water by using our method andalso by using droplet shapes. Notably, as surface-water attractions areincreased, our method is able to capture the transition from partial tocomplete wetting. Finally, the method is straightforward to implement andcomputationally efficient, providing accurate contact angle estimates inroughly 5 nanoseconds of simulation time.

Characterizing Surface Wetting and Interfacial Properties using Enhanced Sampling (SWIPES)