U. Conrad et Hm. Urbassek, NUMERICAL STUDY OF COLLISIONAL MIXING - THE FELU SYSTEM REVISITED, Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 83(1-2), 1993, pp. 125-139
We present a numerical study of the mixing of an FeLu alloy due to bom
bardment by 5 keV Ar+ and Xe+ ions. A dual approach is used to calcula
te the evolution of concentration profiles in a multi-component target
with the fluence of irradiating ions. In a first step, Monte Carlo si
mulation is used to calculate the atomic relocation in a collision cas
cade set up by the bombarding ion. In a second step, the change of the
concentration profiles due to atomic relocation is calculated using a
finite-difference scheme. We check the numerical results using a diff
usion approximation to the underlying evolution equations, and find go
od agreement. The approximation shows that the concentration evolution
can be determined analytically from the preferential relocation of ea
ch species over the average relocation and the mean surface recession
speed. For the FeLu system, we find that by varying one or several of
the model parameters in our simulation - like the cutoff of the potent
ial, or the displacement threshold - the preferential relocation, and
hence the steady-state profiles, are changed. These changes can be und
erstood qualitatively in terms of available analytical models. We comp
are with published results on this system, and discuss the discrepanci
es found.