Hostname: page-component-586b7cd67f-tf8b9 Total loading time: 0 Render date: 2024-11-26T13:09:09.493Z Has data issue: false hasContentIssue false
  • English
  • Français

Adhesive Energy of Zinc Oxide and Graphite, Molecular Dynamics and Atomic Force Microscopy Study

Published online by Cambridge University Press:  14 December 2012

Ulises Galan  and
Henry A. Sodano
Ulises Galan*
Affiliation:
School for Engineering of Matter, Transport and Energy, Arizona State University, USA
Henry A. Sodano
Affiliation:
Department of Mechanical and Aerospace Engineering, University of Florida, USA Department of Materials Science and Engineering, University of Florida, USA
*
*Corresponding author. [email protected]
Get access

Abstract

Molecular Dynamics (MD) simulations are performed to calculate the interfacial energy between zinc oxide (ZnO) and graphitic carbon for the study of solid–solid adhesion. 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/m2 and 0.261 ± 0.054 J/m2, respectively.

Keywords

ZnOalloystrengthadhesiveelastic properties
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1479: Symposium S – Nanostructured Materials and Nanotechnology—2012 , 2012 , pp. 89 - 94
Copyright
Copyright © Materials Research Society 2012

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Lin, Y., Advanced functional materials 19, 2654 (2009).CrossRefGoogle Scholar
Ehlert, G. J., ACS applied materials & interfaces 1, 1827 (2009).CrossRefGoogle Scholar
Galan, U., Composites Sci. Technol. (2011).Google Scholar
Ryckaert, J. P., Journal of computational physics 23, 327 (1977).CrossRefGoogle Scholar
Binks, D., Computational Modeling of Zinc Oxideand related oxide ceramics (University of Surrey, Harwell, England, 1994).Google Scholar
Darden, T., J. Chem. Phys. 98, 10089 (1993).CrossRefGoogle Scholar
Jorgensen, W. L., J. Am. Chem. Soc. 118, 11225 (1996).CrossRefGoogle Scholar
Guo, J. Y., J. Appl. Phys. 109, 024307 (2011).CrossRefGoogle Scholar
Harris, J. G., Journal of physical chemistry (1952) 99, 12021 (1995).CrossRefGoogle Scholar
Plimpton, S., Journal of computational physics 117, 1 (1995).CrossRefGoogle Scholar
Tasker, P. W., Journal of physics.C, Solid state physics 12, 4977 (1979).CrossRefGoogle Scholar
Dulub, O., Phys. Rev. Lett. 90, 16102 (2003).CrossRefGoogle Scholar
Kresse, G., Physical review.B, Condensed matter 68, 245409 (2003).CrossRefGoogle Scholar
Yu, Y. M., Physical review.B, Condensed matter and materials physics 77, 195327 (2008).CrossRefGoogle Scholar
Heiland, G., Surf. Sci. 13, 72 (1969).CrossRefGoogle Scholar
Berendsen, H. J. C., J. Chem. Phys. 81, 3684 (1984).CrossRefGoogle Scholar
Nosé, S., Mol. Phys. 50, 1055 (1983).CrossRefGoogle Scholar
Andersen, H. C., Chem, J.. Phys. 72, 2384 (1980).Google Scholar
Hu, Z., J. Colloid Interface Sci. 263, 454 (2003).CrossRefGoogle Scholar
Gou, J., Computational materials science 31, 225 (2004).CrossRefGoogle Scholar