Atomistic water droplet simulation

A water droplet in equilibrium with its own vapor is modeled using molecular dynamics simulations. The density, velocity distribution, orientation, and energetics of~liquid and vapor~molecules near the droplet surface are examined.~ Deviations from Maxwellian statistics are predicted in both phases. Hydrogen bonding and molecular orientation also vary with distance from the droplet center.~ We~predict~the force landscape near the interface over a range of temperatures and explore~the~mechanisms responsible for evaporation.~