Molecular dynamics prediction of interfacial strength and validation through atomic force microscopy
U Galan and HA Sodano, APPLIED PHYSICS LETTERS, 101, 151603 (2012).
Molecular dynamics (MD) simulations are performed to calculate the interfacial energy between zinc oxide (ZnO) and graphitic carbon. The MD model consists of a ZnO slab and a single layer of graphitic carbon. The calculation was validated experimentally by atomic force microscopy (AFM) liftoff. A polishing process was applied to create a tip with a flat surface that was subsequently coated with a ZnO film allowing force displacement measurement on highly oriented pyrolitic graphite to validate the simulations. The MD simulation and AFM lift-off show good agreement with adhesive energies of 0.303 J/m(2) and 0.261 +/- 0.054 J/m(2), respectively. (C) 2012 American Institute of Physics. http://dx.doi.org/10.1063/1.4758988
Return to Publications page