Abstract:
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.
Fulltext:
PDF file (320 kB)