First-Principles Study of Metal -Ceramic Interfaces

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.

Name thesis:degree_name

Ph.D.

Level thesis:degree_level

Dissertation

Discipline thesis:degree_discipline

Physics

Grantor

University of Illinois at Urbana-Champaign

Year dc:date

2015

Author dc:creator

• Siegel, Donald Jason

Contributors dc:contributor

• Adams, James B.

• Engineering, Materials Science

Language dc:language

eng

Identifier

(MiAaPQ)AAI3023197

OAI identifier oai:identifier

oai:www.ideals.illinois.edu:2142/80472