Ab initio study of Al-ceramic interfacial adhesion

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

Research output: Contribution to journalArticle

107 Scopus citations

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 (formula presented) 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)
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume67
Issue number9
DOIs
StatePublished - Mar 26 2003

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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