Geodesic
Computer simulation of self-assembly of structure from an ensemble of nanoparticles
Žurnal Sibirskogo federalʹnogo universiteta. Matematika i fizika, Tome 18 (2025) no. 2, pp. 199-208

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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.
Keywords: mathematical model, nanostructure self-assembly, computational experiment, Langevin dynamics. 
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Viktoriya S. Petrakova; Alexey S. Tsipotan. Computer simulation of self-assembly of structure from an ensemble of nanoparticles. Žurnal Sibirskogo federalʹnogo universiteta. Matematika i fizika, Tome 18 (2025) no. 2, pp. 199-208. http://geodesic.mathdoc.fr/item/JSFU_2025_18_2_a5/