An(N,V,T,) Monte Carlo simulation of liquid argon has been carried out in order to study the distribution of clusters formed by the relatively strongly interacting atoms. A set of configurations has been selected for the analysis of connectivity properties. Energetic criterion has been used for the definition of the bond between two atoms. Two atoms were considered to be bonded if their pair interaction energy was deeper than a prefixed value. Varying the value of this limiting energy a bond percolation threshold, at which initially disconnected clusters suddenly transformed to a large space-filling network of connected atoms, was observed. The limiting energy corresponding to this threshold is not far from the minimum value of the pair interaction energy. The similar behavior of connectivity properties in liquid argon to that of water shows that gel formation may take place without orientational forces.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry