Non-equilibrium molecular simulations of thin film rupture.

J Chem Phys

Department of Mechanical and Aerospace Engineering, Brunel University London, Uxbridge UB8 3PH, United Kingdom.

Published: April 2023

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.

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http://dx.doi.org/10.1063/5.0149974DOI Listing

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