WSEAS Transactions on Applied and Theoretical Mechanics
Print ISSN: 1991-8747, E-ISSN: 2224-3429
Volume 14, 2019
Simulation of Control Processes for Deposition of Nanofilms on Porous Alumina Substrates
Authors: , ,
Abstract: The results of the investigation of deposition processes of nanofilms formation on amorphous aluminum oxide substrates are presented in the article. The study was carried out by mathematical modeling. The equations of molecular dynamics and the modified embedded atom method were used in solving the problem. The required temperature and pressure were maintained using a Nose-Hoover thermostat and barostat. The simulation was performed using the software package LAMMPS. In the work, the precipitation of molecular zinc sulphide in both pure form and addition of alloying elements was investigated. In all cases, the picture of overgrowing of porous substrates was obtained in a similar way. The pores were not completely filled with the deposited atoms, they only partially penetrated it. Directly above the pores a layer of zinc sulphide was formed, which began to form from the sides of the porous structures. Alloying additives processes of formation of nanofilms did not significantly change. To investigate the possibility of controlling the processes of deposition and formation of nanofilms and burying of porous templates, the angle to the normal line of the porous template in which the epitaxial atoms and molecules move to the deposition surface was selected as one of the modeling control parameters. The angle from the normal varied from 0 to 60 degrees. Another controlling parameter was the preheating temperature of the already formed film. The nanofilms were heated at elevated temperatures in the range 293-593 K and the result of the modification of the nanofilm was considered. Investigations of the possibility of controlling the growth processes of nanofilms, overgrowing porous substrates, and the formation of nanostructured coatings have shown that the epitaxial deposition angles and heating of the nanosystem to temperatures do not lead to a significant change in the formation of nanostructures. At the same time, there is a slight restructuring of the structure and internal organization of nanoelements, but there are no certain filling of the pores and changes in the properties of the nanofilms.
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Keywords: epitaxy, nanofilms, simulation, porous substrates, LAMMPS, molecular dynamics, zinc sulphide, optical films
Pages: 145-152
WSEAS Transactions on Applied and Theoretical Mechanics, ISSN / E-ISSN: 1991-8747 / 2224-3429, Volume 14, 2019, Art. #15