| Abstract: | The behavior of 12- and 14-molecule water microclusters with ST2 potential in the range of 50–325 K is studied by the molecular
dynamics method. Structure and phase transitions, including evaporation of molecules from the clusters and transition through
the percolation threshold via hydrogen bonds, were found. Topological, temporal, and energy characteristics of the bond network
are analyzed based on the dynamic criterion of hydrogen bonding.
Institute of Thermal Physics, Ural Branch, Russian Academy of Sciences. Translated fromZhurmal Strukturnoi Khimii, Vol. 35, No. 1, pp. 64–70, January–February, 1994.
Translated by L. Chernomorskaya |
