Abstract
The percolation and cluster characteristics of the 3D Lennard-Jones, LJ, fluid have been determined by molecular dynamics computer simulation. The continuous nature of the LJ potential has a pronounced effect on the percolation threshold when compared with a nearest equivalent hard-sphere fluid. In the hard-core limit, percolation takes place at a higher equivalent hard-sphere density than for the hard-sphere fluid. In the soft-core regime the reverse trend is observed. The distribution of clusters is analysed using the cluster number distribution function, ns , above and below the percolation threshold. Its variation with density is statistically the same as for lattice percolation. The pair correlation within the percolating cluster is measured using the pair connectedness function, p(r). It can be used to obtain, at short range the coordination number within the cluster and at long range the fractal dimension, D f, of the percolating cluster. The radius of gyration, R g, of the non-percolating clusters...
Published Version
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