Ab initio study of Al-ceramic interfacial adhesion

Donald J. Siegel, Louis G. Hector, James Adams

Research output: Contribution to journalArticle

103 Citations (Scopus)

Abstract

We present a small database of adhesion energies for Al/ceramic interfaces calculated using density functional methods. In total, 26 distinct interface geometries were examined, in which the ceramic component was varied amongst carbides (WC, VC), nitrides (VN, CrN, TiN), and oxides (α-Al2O3), while including variations in interfacial stacking sequence and ceramic termination (polar and nonpolar). We find that adhesion is smallest (largest) for those interfaces constructed from non-polar (polar) surfaces, regardless of ceramic component. Since the interfacial free energies of all interfaces are relatively small, we examine the extent to which adhesion can be described solely by contributions from the surface energies.

Original languageEnglish (US)
Article number092105
Pages (from-to)921051-921054
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume67
Issue number9
StatePublished - Mar 1 2003

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adhesion
Adhesion
ceramics
Interfacial energy
Nitrides
Oxides
Free energy
Carbides
carbides
surface energy
nitrides
Geometry
free energy
oxides
geometry
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Ab initio study of Al-ceramic interfacial adhesion. / Siegel, Donald J.; Hector, Louis G.; Adams, James.

In: Physical Review B - Condensed Matter and Materials Physics, Vol. 67, No. 9, 092105, 01.03.2003, p. 921051-921054.

Research output: Contribution to journalArticle

Siegel, Donald J. ; Hector, Louis G. ; Adams, James. / Ab initio study of Al-ceramic interfacial adhesion. In: Physical Review B - Condensed Matter and Materials Physics. 2003 ; Vol. 67, No. 9. pp. 921051-921054.
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