Amitava Banerjea

Universal aspects of adhesion and atomic force microscopy

Adhesive energies are computed for flat and atomically sharp tips as a function of the normal distance to the substrate. The dependence of binding energies on tip shape is investigated. The magnitudes of the binding energies for the atomic force microscope are found to depend sensitively on tip material, tip shape and the sample site being probed. The form of the energy-distance curve, however, is universal and independent of these variables, including tip shape.

Interfacial Adhesion: Theory and Experiment

Adhesion, the binding of different materials at an interface, is of general interest to many branches of technology, e.g., microelectronics, tribology, manufacturing, construction, etc. However, there is a lack of fundamental understanding of such diverse interfaces. In addition, experimental techniques generally have practical objectives, such as the achievement of sufficient strength to sustain mechanical or thermal effects and/or have the proper electronic properties. In addition, the theoretical description of binding at interfaces is quite limited, and a proper data base for such theoretical analysis does not exist. This presentation will review both experimental and theoretical aspects of adhesion in nonpolymer materials. The objective will be to delineate the critical parameters needed, governing adhesion testing along with an outline of testing objectives. A distinction will be made between practical and fundamental objectives. Examples are given where interfacial bonding may govern experimental consideration. The present status of theory is presented along wiith recommendations for future progress and needs.

Universal aspects of brittle fracture, adhesion, and atomic force microscopy

This universal relation between binding energy and interatomic separation was originally discovered for adhesion at bimetallic interfaces involving the simple metals Al, Zn, Mg, and Na. It is shown here that the same universal relation extends to adhesion at transition-metal interfaces. Adhesive energies have been computed for the low-index interfaces of Al, Ni, Cu, Ag, Fe, and W, using the equivalent-crystal theory (ECT) and keeping the atoms in each semiinfinite slab fixed rigidly in their equilibrium positions. These adhesive energy curves can be scaled onto each other and onto the universal adhesion curve. The effect of tip shape on the adhesive forces in the atomic-force microscope (AFM) is studied by computing energies and forces using the ECT. While the details of the energy-distance and force-distance curves are sensitive to tip shape, all of these curves can be scaled onto the universal adhesion curve.

AVALANCHE IN ADHESION AT METAL INTERFACES

Simulations have shown that as two metal surfaces approach each other, the surface layers can avalanche together when the rigid interfacial spacing falls below a critical distance. This is accompanied by a discontinuous decrease in the adhesive energy. Here we present an examination of this phenomenon for the bcc metals Fe and W using the Equivalent Crystal Theory. In order to identify the circumstances under which avalanche might be inhibited, the effect of loss of registry between the two surfaces is investigated in detail. The avalanche is inhibited when the two surfaces are sufficiently far out of registry and when only a few layers near the surface are allowed to relax. As the relaxing slabs get thicker a sharp avalanche reappears. However, as the loss of registry increases the energy released in the avalanche decreases.

New, Simple Approach to Defect Energies in Solids via Equivalent Crystals

It is evident from many of the presentations of this symposium that it is now reasonable to consider the computation and simulation of real materials phenomena. It would be desirable, for example, to have an atomistic model of crack initiation and growth or of adhesion and friction processes. This would require going beyond pair potentials with a method that is quantum mechanical in origin, accurate, and yet simple enough to allow one to deal with the low symmetries found in these phenomena.