Simulation of the Interaction Processes between Copper Nanoclusters and Metal Targets with Pore-Type Defects

• Published in: Surface investigation, x-ray, synchrotron and neutron techniques Vol. 16; no. 4; pp. 576 - 580
• Main Authors: Sharipov, Z. A., Batgerel, B., Puzynin, I. V., Puzynina, T. P., Hristov, I. G., Hristova, R. D., Tukhliev, Z. K.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01.08.2022; Springer Nature B.V
• Subjects: Atomic structure; Chemistry and Materials Science; Close packed lattices; Copper; Crystal defects; Dislocations; Dynamic structural analysis; Hexagonal lattice; Irradiation; Lattice vacancies; Material properties; Materials Science; Molecular dynamics; Nanoclusters; Shock waves; Simulation; Surfaces and Interfaces; Thin Films; shock wave; nanoclusters; simulation; defects; molecular-dynamics method; structural changes; irradiation
• ISSN: 1027-4510; 1819-7094
• DOI: 10.1134/S1027451022040322

— Real crystals contain different defects, such as pores, vacancies, and dislocations. The type of defects determines the important properties of materials to a large extent. Consequently, the change in defects under the action of irradiation changes the target properties. Simulation of the irradiation of real samples is an important task for understanding the mechanism of structural changes in targets. In this work, the molecular dynamics method is used to study copper, iron, cobalt, and nickel samples with the given type of defects, namely, pores, under irradiation with copper-atom nanoclusters with an energy of 1–100 eV. The results of numerical simulation are obtained: the threshold energy density leading to the formation of shock waves and their effect on the defect structures of the irradiated target as a function of the energy of nanocluster atoms. The resulting structural changes in the target depth are studied as functions of the energy of the atoms and the target size. The formation of a hexagonal close-packed lattice in the vicinity of pores in the copper target as a function of the energy of nanocluster atoms is established.