Paper Citing NAMD - Abstract
Wang, Boyang; Kral, Petr
Dragging of polarizable nanodroplets by distantly solvated ions
PHYSICAL REVIEW LETTERS, 101 Art. No. 046103, JUL 25 2008
We show by molecular dynamics simulations that ions intercalated in carbon and boron-nitride nanotubes can be solvated at distance in polarizable nanodroplets adsorbed on their surfaces. When the ions are driven in the nanotubes by electric fields, the adsorbed droplets are dragged together with them. We illustrate this phenomenon by dragging assemblies of 20-10 000 water molecules by individual Na+ and Cl- ions. This ion-facilitated dragging could be applied in molecular delivery, separation, and desalination.
