DOI: https://doi.org/10.26089/NumMet.v18r437

Ring statistics in disordered solids: a parallel algorithm for clusters with hundred thousands of atoms

Authors

  • F.V. Grigoriev
  • V.B. Sulimov
  • A.V. Tikhonravov

Keywords:

structures of glasses and films
molecular dynamics
glassy silicon dioxide
ring statistic

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.

New computational technologies

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Published

2017-11-02

Issue

Vol. 18 (2017): Issue 4.

Section

Section 1. Numerical methods and applications

Author Biographies

F.V. Grigoriev

Lomonosov Moscow State University
• Leading Researcher

V.B. Sulimov

Lomonosov Moscow State University
• Head of Laboratory

A.V. Tikhonravov

Lomonosov Moscow State University
• Director

References

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