Annotation
Computer simulation of water clusters (H$_2$O)$_n$, Na$^{+}$(H$_2$O)$_n$ and K$^{+}$(H$_2$O)$_n$ (${n\le8}$) at temperatures of 1 and 300 K was carried out using the Monte Carlo method. All the types of the hydrogen-bond network structures at equilibrium configurations of the water clusters and, among them, the most probable ones at temperatures of 1 and 300 K, were detected. The analysis of the most probable types of hydrogen-bond networks at equilibrium configurations of water clusters revealed that clusters with $n$ water molecules inherit the configuration of clusters with ${n-1}$ water molecules with an accuracy of one hydrogen bond.
Received: 2012 March 4
Approved: 2024 March 18
PACS:
61.20.Ja Computer simulation of liquid structure
© 2016 Publisher M.V.Lomonosov Moscow State University
Authors
A.V. Khakhalin$^{1,2}$, A.V. Koroleva$^1$, V.T. Shalabaeva$^1$, Ya.N. Shirshov$^1$
$^1$Faculty of Physics, Moscow State University, Moscow, 119991, Russia
$^2$Institute of Microelectronics Nanotechnologies, Russian Academy of Sciences, Leninskii pr., 32A, Moscow, 119991, Russia
$^1$Faculty of Physics, Moscow State University, Moscow, 119991, Russia
$^2$Institute of Microelectronics Nanotechnologies, Russian Academy of Sciences, Leninskii pr., 32A, Moscow, 119991, Russia