A direct two-dimensional pressure formulation in molecular dynamics.

Two-dimensional (2D) pressure field estimation in molecular dynamics (MD) simulations has been done using three-dimensional (3D) pressure field calculations followed by averaging, which is computationally expensive due to 3D convolutions. In this work, we develop a direct 2D pressure field estimation method which is much faster than 3D methods without losing accuracy. The method is validated with MD simulations on two systems: a liquid film and a cylindrical drop of argon suspended in surrounding vapor.

Origin of Surface-Driven Passive Liquid Flows.

Passive liquid flow occurs in nature in the transport of water up tall trees and is desired for high-heat flux removal in thermal management devices. Typically, liquid-vapor surface tension is used to generate passive flows (e.g.