Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials
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On the regularities of formation of mono- and bimetallic nanoparticles in the coalescence process

A.Yu. Kolosov, V.S. Myasnichenko, S.S. Bogdanov, V.I. Romanovskiy, N.I. Nepsha, K.R. Shcherbatykh, N.Yu. Sdobnyakov
Tver State University
Scientific Investigation Center «Structural Ceramic Nanomaterials», National University of Science and Technologу «MISIS»
Belarusian State Technological University

DOI: 10.26456/pcascnn/2018.10.359

Abstract: The simulation was carried out using two alternative Monte Carlo and molecular dynamics methods of the coalescence process with gradual thermal action for metallic nanoparticles based on nickel, aluminum, copper, silver and gold. The following types of mono- and bimetallic systems were considered: in the form of a sphere and in the form of two perpendicular blocks. It is established that the evolution of the coalescence process for monometallic nanoparticles differs significantly from that for bimetallic nanoparticles. Characteristics such as the coalescence temperature, the structure and shape of the neck, the dihedral angle between the nanoparticles can differ significantly. It is argued that it is impossible to accurately predict the behavior of a bimetallic system in the process of coalescence, knowing the evolution of the process of coalescence for monometallic systems consisting of the same metals.
Keywords: mono- and bimetallic nanoparticles, molecular dynamics, coalescence, Monte-Carlo method, molecular dynamics, dihedral angle.

Bibliography link:
Kolosov, A.Yu. On the regularities of formation of mono- and bimetallic nanoparticles in the coalescence process / A.Yu. Kolosov, V.S. Myasnichenko, S.S. Bogdanov et al. // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials: Interuniversity collection of proceedings / Ed. by V.M. Samsonov, N.Yu. Sdobnyakov. – Tver: TSU, 2018. – I. 10. – P. 359-367.

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