An atomistic-continuum hybrid scheme for numerical simulation of droplet spreading on a solid surface

We present an atomistic-continuum hybrid method to investigate spreading dynamics of drops on solid surfaces. The Navier-Stokes equations are solved by the finite-volume method in a continuum domain comprised of the main body of the drop, and atomistic molecular dynamics simulations are used in a particle domain in the vicinity of the contact line. The spatial coupling between the continuum and particle domains is achieved through constrained dynamics of flux continuities in an overlap domain.