Non-equilibrium molecular simulations of thin film rupture

The retraction of thin films, as described by the Taylor-Culick (TC) theory, is subject to widespread debate, particularly for films at the nanoscale. We use non-equilibrium molecular dynamics simulations to explore the validity of the assumptions used in continuum models by tracking the evolution of holes in a film. By deriving a new mathematical form for the surface shape and considering a locally varying surface tension at the front of the retracting film, we reconcile the original theory with our simulation to recover a corrected TC speed valid at the nanoscale.

Automated summary

Using non-equilibrium molecular dynamics simulations, we investigate the retraction of thin films and correct the Taylor-Culick (TC) theory for nanoscale films by deriving a new mathematical formulation for surface shape and considering locally varying surface tension.