Thin Film Rupture from the Atomic Scale

TL;DR

This paper investigates the rupture dynamics of nanoscale thin films using molecular dynamics simulations, revising classical theory to account for atomic-scale effects and surface tension variations.

Contribution

It introduces a new mathematical model that incorporates local surface tension variations, aligning continuum theory with nanoscale simulation results.

Findings

Revised Taylor-Culick speed valid at the nanoscale

Derived a new surface shape model for thin film rupture

Validated the corrected theory with molecular dynamics data

Abstract

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 data to recover a corrected TC speed valid at the nanoscale.