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Atomistic Simulation of Adhesion and Adhesive Transfer at Metal/Metal-Oxide Interfaces L.G. Hector, Jr.

Summary: Atomistic Simulation of Adhesion and Adhesive Transfer at Metal/Metal-Oxide Interfaces
L.G. Hector, Jr.
Surface Science Division, Alcoa Center, PA 15069
D.J. Siegel
Physics Dept., University of Illinois, Urbana, IL 61801
J. Adams
Chemical, Bio and Materials Dept., Arizona State University, Tempe, AZ 85287 Arizona State University
ABSTRACT: Adhesion and adhesive metal transfer in aluminum forming processes are often the cause of many process
and product related problems. Consequently, an enormous amount e ort has been invested in lubricant and tool surface
coating development to provide the means for adhesion reduction or elimination. Unfortunately, the kinematics of the
tooling/workpiece interface are often such that the interface becomes depleted of lubricant. If the natural oxide of the
aluminum is fractured, then nascent aluminum, which is highly reactive, will bond to the tool surface in the absence of
a lubricant lm leading to the formation an aluminum wear layer or coating on the tool surface. Tool surface coatings
consisting of various metallic or refractory materials are often employed to prevent adhesion. Unfortunately, these are
selected primarily on an empirical basis since there is no quantitative methodology that would allow one to "tune" a
tool surface to the material properties of the aluminum and the tribological aspects of a forming process. It is therefore
the purpose of the present work to present a methodology based upon the density functional method for the calculation
adhesion energies and prediction of adhesive metal transfer at selected metal-metal oxide interfaces. It is anticipated that
this methodology will provide a basis for quantitative selection of tool coatings and also will help bridge the gap between
atomic scale and continuum scale theories of adhesion and adhesive metal transfer. We speci cally address adhesion


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


Collections: Materials Science