"Ring statistics in disordered solids: a parallel algorithm for clusters with hundred thousands of atoms"
Grigoriev F.V., Sulimov V.B., and Tikhonravov A.V.

The rings consisting of various number of atoms are basic structural elements in many disordered solids. In this paper, a parallel algorithm for calculating an approximate ring distribution function by the number of atoms is proposed. The algorithm is based on the Monte Carlo method and is applied to SiO$_2$ clusters consisting of up to $10^6$ atoms. The efficiency of the algorithm is studied using up to 1024 computational cores.

Keywords: structures of glasses and films, molecular dynamics, glassy silicon dioxide, ring statistic.

  • Grigoriev F.V. – Research Computing Center, Lomonosov Moscow State University; Leninskie Gory, Moscow, 119992, Russia; Ph.D., Leading Scientist, e-mail: fedor.grigoriev@gmail.com
  • Sulimov V.B. – Research Computing Center, Lomonosov Moscow State University; Leninskie Gory, Moscow, 119992, Russia; Dr. Sci., Head of Laboratory, e-mail: v.sulimov@srcc.msu.ru
  • Tikhonravov A.V. – Research Computing Center, Lomonosov Moscow State University; Leninskie Gory, Moscow, 119992, Russia; Dr. Sci., Professor, Director, e-mail: tikh@srcc.msu.ru