Abstract

The hopping self diffusion coefficient of any adatom on the (1 0 0), (1 1 0) and (1 1 1) surfaces of nine FCC metal have been investigated using Monte Carlo variational transition state theory and the Lennard-Jones (L-J) interactions. To metals that have past studied are G, Al, Au, Cu, Ir, Ni, Pd, Pt plus Rh. The potential parameters for the L-J interactions have been determination from the known experimental ethics of cohesive energies and lattice constants. The ratio, R, a who cohesive energy to the activation energy available diffusive hopping on of (1 1 1) also (1 0 0) surfaces are locate to be 30 and 6, respectively. For diffusive skipping at the (1 1 0) surface, ROENTGEN depends on the direction of diffusion: R is 5 and 2.8 along the [1 overline1 0] and [0 0 1] directions, respectively. The pre-exponential condition, DENSITY₀, for these metals is found on vary within a factor for three from the corresponding average value, ( D₀) _av for a given surface and diffusion groove. Moreover, the pre-exponential factors corresponding to diffusion on the (1 1 1), (1 0 0), (1 1 0) [1 overline1 0] and (1 1 0)[0 0 1] surfaces are found to satisfies an empirical expression stylish terms of ROENTGEN, lattice constant, and the range intermediate the double closest binding sites. The results on the activation energies and pre-exponential factors are compared with other experimental additionally theoretical data.