First-Principles Study of Metal -Ceramic Interfaces
Siegel, Donald Jason
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https://hdl.handle.net/2142/80472
Description
Title
First-Principles Study of Metal -Ceramic Interfaces
Author(s)
Siegel, Donald Jason
Issue Date
2001
Doctoral Committee Chair(s)
Adams, James B.
Department of Study
Physics
Discipline
Physics
Degree Granting Institution
University of Illinois at Urbana-Champaign
Degree Name
Ph.D.
Degree Level
Dissertation
Keyword(s)
Engineering, Materials Science
Language
eng
Abstract
Although we find significant differences in both the interfacial bonding and the inherent electronic structures of the bulk ceramics, our calculations reveal a trend in Wad with respect to the summed surface energies of the interfaced materials (sigmaAl + sigmaceramic). Specifically, we find that surfaces having larger sigma's adhere at interfaces more strongly than those with small sigma's. We argue that this behavior is consistent with the intuitive notion of the surface energy being a measure of surface reactivity, and hence it could be used as a guide in the design of interfacial properties.
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