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Adhesion, stability, and bonding at metal/metal-carbide interfaces: Al/WC Donald J. Siegel
 

Summary: Adhesion, stability, and bonding at metal/metal-carbide interfaces: Al/WC
Donald J. Siegel

Department of Physics, University of Illinois at Urbana-Champaign,
1110 West Green St., Urbana, IL, 61801.
Louis G. Hector, Jr.
GM Research and Development Center,
30500 Mound Rd., P.O. Box 9055, Warren, MI 48090.
James B. Adams
°
Chemical and Materials Engineering Department, Arizona State University,
Tempe, AZ 85287-6006.
(Dated: July 16, 2001)
We examine the relative stability and adhesion of the polar Al(111)/WC(0001) interface using Density Func-
tional Theory. Relaxed atomic geometries and the ideal work of adhesion were calculated for six different
interfacial structures, taking into account both W- and C-terminations of the carbide. The interfacial elec-
tronic structure was analyzed to determine the nature of metal/carbide bonding. Based on the surface and
interfacial free energies, we find that both the clean WC(0001) surface and the optimal interface geometry are
W-terminated. Although both terminations yield substantial adhesion energies in the range 4≠6 J/mĘ , bonding
at the optimal C-terminated structure is nearly 2 J/mĘ stronger, consistent with an argument based on surface

  

Source: Adams, James B - Department of Chemical and Materials Engineering, Arizona State University

 

Collections: Materials Science