Metal-Ceramic Adhesion and the Harris Functional
- 20 June 1994
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 72 (25), 4021-4024
- https://doi.org/10.1103/physrevlett.72.4021
Abstract
The effects of a monolayer of C or S impurities on adhesion at MgO/Al and MgO/Ag interfaces were determined from first principles. Impurity effects were found to be substantial, with changes in adhesive energies ranging from 9% to 61%. All adhesion curves accurately obey the universal energy relation. The Harris functional reproduces the self-consistent results well. Given the relative simplicity of the Harris functional, these successful interfacial applications may significantly expand the size and complexity of systems which can be studied.Keywords
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