Abstract

Diffusion in lattice gases is an important problem both from a fundamental and from an applied point of view. A physical example of lattice gases without double occupancy of sites and possible further interactions is the diffusion of atoms in interstitial and substitutional alloys. The collective and chemical diffusion has been studied by Monte-Carlo methods. For a review on the results of these investigations see reference [1]. The standard method used is described in [2]. To simulate hydrogen in metallic alloys modifications to the model have been made [3], but the algorithm used is still the standard one. The main disadvantage of this algorithm is that it is not vectorizable. So only scalar mainframes could be used. We will present a new fully vectorizable algorithm for lattice gas simulations, where double occupancy is excluded, which is significantly faster than the standard algorithm [4]. This algorithm has been applied to calculate the critical exponent of the root-mean-square displacement of tracer particles on percolation lattices at the percolation threshold.

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