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Article information
2022 , Volume 27, ¹ 2, p.74-90
Ulyanov M.V., Urazov S.O.
Implementation of Random Sequential Adsorption (RSA) by auxiliary array reduction method: analytical consideration and computational experiment
The article addresses a method that provides a time-efficient implementation of the kinetics of random sequential adsorption (RSA). RSA model is relevant to many physical, chemical, and biological processes. In this regard, a wide range of researchers is interested in obtaining a large amount of data with statistically significant samples to enhance the studies of RSA kinetics using computer simulation. The underlying problem that arises here helps reducing the time spent on computer simulation. RSA itself is a stochastic process where objects are randomly and irreversibly deposited on a substrate without overlapping with previously adsorbed objects. Computer simulation of RSA is difficult due to the random choice of the position from which the next object is allowed to fall. Random enumeration of positions, up to finding the allowed one, leads to an exponential dependence of the concentration of the substrate coverage by objects on the simulation time. The previously proposed methods for the implementation of RSA do not have a full theoretical justification. For example, in the method of free cell positions lists, it is not clear which value of concentration becomes effective when using the lists. This paper considers the problem of developing a theoretically substantiated method that provides time-efficient implementation of RSA in the case of deposition of vertically and horizontally oriented particles on a square two-dimensional lattice with periodic boundary conditions. The article presents the method of reduction of auxiliary arrays proposed by the authors, which provides a time-efficient implementation of RSA. The presented analytical study determines the optimal reduction threshold and the results of an experimental examination of software implementation are presented. The obtained experimental data have shown that the theoretical predictions for the optimal reduction threshold fall within the interval providing no more than 2% deviation from the optimal time, which provides recommendations for the practical application of the method.
[full text] [link to elibrary.ru]
Keywords: random sequential adsorption, reduction method, time efficiency
doi: 10.25743/ICT.2022.27.2.007
Author(s):
Ulyanov Mikhail Vasilievich
Dr. , Professor
Position: Professor
Office: V. A. Trapeznikov Institute of Control Sciences of Russian Academy of Sciences, Lomonosov Moscow State University
Address: 117997, Russia, Moscow, 65 Profsoyuznaya street
Phone Office: (495) 334-89-10
E-mail: muljanov@mail.ru
Urazov Stanislav Olegovich
Position: Student
Office: Lomonosov Moscow State University
Address: 119991, Russia, Moscow, 1, Universitetskaya square
E-mail: urazov.msu@gmail.com
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Bibliography link:
Ulyanov M.V., Urazov S.O. Implementation of Random Sequential Adsorption (RSA) by auxiliary array reduction method: analytical consideration and computational experiment // Computational technologies. 2022. V. 27. ¹ 2. P. 74-90
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