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Numerical methods and programming, 2017, Volume 18, Issue 4, Pages 447–454 (Mi vmp892)  
Ring statistics in disordered solids: a parallel algorithm for clusters with hundred thousands of atoms

G. F. Grigor'ev, V. B. Sulimov, A. V. Tikhonravov

Lomonosov Moscow State University, Research Computing Center
Full-text PDF (320 kB)
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.
Funding agency Grant number
Russian Science Foundation 14-11-00409
Received: 29.10.2017
Document Type: Article
UDC: 536.75; 538.9
Language: Russian
Citation: G. F. Grigor'ev, V. B. Sulimov, A. V. Tikhonravov, “Ring statistics in disordered solids: a parallel algorithm for clusters with hundred thousands of atoms”, Num. Meth. Prog., 18:4 (2017), 447–454
Citation in format AMSBIB
\Bibitem{GriSulTik17}
\by G.~F.~Grigor'ev, V.~B.~Sulimov, A.~V.~Tikhonravov
\paper Ring statistics in disordered solids: a parallel algorithm for clusters with hundred thousands of atoms
\jour Num. Meth. Prog.
\yr 2017
\vol 18
\issue 4
\pages 447--454
\mathnet{http://mi.mathnet.ru/vmp892}
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