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À propos de : Percolation Transition in Supercritical Water: A Monte Carlo Simulation Study        

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  • Percolation Transition in Supercritical Water: A Monte Carlo Simulation Study
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  • Computer simulations of water have been performed on the canonical ensemble at 15 different molecularnumber densities, ranging from 0.006 to 0.018 Å-3, along the supercritical isotherm of 700 K, in order tocharacterize the percolation transition in the system. It is found that the percolation transition occurs at asomewhat higher density than what is corresponding to the supercritical extension of the boiling line. Wehave shown that the fractal dimension of the largest cluster and the probability of finding a spanning clusterare the most appropriate properties for the location of the true percolation threshold. Thus, percolation transitionoccurs when the fractal dimension of the largest cluster reaches 2.53, and the probability of finding a clusterthat spans the system in at least one dimension and in all the three dimensions reaches 0.97 and 0.65,respectively. On the other hand, the percolation threshold cannot be accurately located through the clustersize distribution, as it is distorted by appearance of clusters crossing the finite simulated system even farbelow the percolation threshold. The structure of the largest water cluster is dominated by a linear, chainlikearrangement, which does not change noticeably until the largest cluster becomes infinite.
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