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 language | English (US) |
|---|---|
| Article number | 092105 |
| Pages (from-to) | 921051-921054 |
| Number of pages | 4 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 67 |
| Issue number | 9 |
| State | Published - Mar 1 2003 |
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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 journal › Article
}
TY - JOUR
T1 - Ab initio study of Al-ceramic interfacial adhesion
AU - Siegel, Donald J.
AU - Hector, Louis G.
AU - Adams, James
PY - 2003/3/1
Y1 - 2003/3/1
N2 - 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.
AB - 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.
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UR - http://www.scopus.com/inward/citedby.url?scp=4243469405&partnerID=8YFLogxK
M3 - Article
AN - SCOPUS:4243469405
VL - 67
SP - 921051
EP - 921054
JO - Physical Review B-Condensed Matter
JF - Physical Review B-Condensed Matter
SN - 0163-1829
IS - 9
M1 - 092105
ER -