Journal of Siberian Federal University. Mathematics & Physics / Computer Simulation of Self-assembly of Structure from an Ensemble of Nanoparticles

Full text (.pdf)
Issue
Journal of Siberian Federal University. Mathematics & Physics. Prepublication
Authors
Petrakova, Viktoriya S.; Tsipotan, Alexey S.
Contact information
Petrakova, Viktoriya S. : Institute of Computational Modeling Siberian Branch of Russian Academy of Sciences Krasnoyarsk, Russian Federation; ; Tsipotan, Alexey S. : Siberian Federal University Krasnoyarsk, Russian Federation;
Keywords
mathematical model; nanostructure self-assembly; computational experiment; Langevin dynamics
Abstract

Self-assembly is one of the methods utilized to create intricate geometry-based structures at the nanoscale. Earlier research in this field has shown that the formation of multiparticle structures using this technique is primarily achievable through gradual assembly, where a new particle is connected with a previously formed cluster. But step-by-step construction requires additional expenses and may result in defects within the already formed structures. If step-by-step assembly is not appropriate, a structure can be formed from a ensemble of particles without additional influence, but it is uncertain whether the probability of structure formation and the process selectivity are high. The paper presents a mathematical model that demonstrates how to derive a structure from an ensemble of particles, describes its implementation through software, and proposes the result of computational experiments

Pages
197–206
EDN
GAYLEB
Paper at repository of SibFU
https://elib.sfu-kras.ru/handle/2311/154830