Abstract
We present results from molecular dynamics simulations of water confined by two parallel atomically detailed hydrophobic walls. Simulations are performed at and wall-wall separation . At , a first order transition occurs between a bilayer liquid (BL) and a trilayer heterogeneous fluid (THF) as water density increases. The THF is characterized by a liquid (central) layer and two crystal-like layers next to the walls. The BL-THF transition involves freezing of the two surface layers in contact with the walls. At , the THF transforms into a bilayer ice (BI) upon decompression. Both the BL-THF and BI-THF transitions are induced by the surface regular atomic-scale structure.
- Received 20 September 2008
DOI:https://doi.org/10.1103/PhysRevLett.102.050603
©2009 American Physical Society