Possible motion of an H-atom on Cu(100) surface

We compute different adsorption forms for different surface sites, at top, at saddle points (at bridges), and in four-fold (hollow) positions. Then we show that this type of physics is closely related to continuum mechanics, apart from surface chemistry. We use a two-body potential as our basis for the calculation of the potential of the gas particle produced by the surfac e sites. This potential is taken as a combination of a simple harmonic pote ntial and the Lennard-Jones potential, and is established in particular for the H/Cu(100) surface. It includes the chemisorption and physisorption pro cesses simultaneously. In this paper, we have calculated the static surface potential V-s((r) over right arrow) of H/Cu(100) as an exemplary adatom-su rface system by pair-wise additivity. The calculations give good results an d offer a very realistic interpretation. From these results, we assume that the surface formed by Cu provides a source for the ad-H-atoms for some ela stic or plastic deformation under forces. Under this consideration, the ela stic or plastic deformation is related to the second derivatives of "the su rface potential tensor function" parallel to the surface direction and perp endicular to the surface direction. Pictorially, we can thus predict the be havior of an H-atom at a sticking equilibrium position on a Cu(100) surface .