%0 Journal Article %A Vakhrushev, A. V. %A Fedotov, A. Yu. %A Severyukhin, A. V. %A Valeev, R. G. %D 2017 %I Begell House %K epitaxy, structure and properties of nanofilms, simulation, LAMMPS, crystalline structure, molecular dynamics, MEAM %N 3 %P 167-192 %R 10.1615/NanoSciTechnolIntJ.v8.i3.10 %T ON THE STRUCTURE AND PROPERTIES OF NANOFILMS DEPOSITED ON POROUS ALUMINUM OXIDE SUBSTRATES %U https://www.dl.begellhouse.com/journals/11e12455066dab5d,17f1428b46459361,1ef7353d0003f368.html %V 8 %X The results of investigation for the epitaxial processes of nanofilms formation on amorphous aluminum oxide substrates are presented. The study was carried out by mathematical simulation. 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 pore did not overgrow at rest during relaxation. The types of atoms deposited were varied. Silver, gold, germanium, gallium, platinum, titanium, copper, and chromium were precipitated. Different patterns of formation of nanofilms were obtained for these types of atoms. The atoms of gallium were located most densely in the pore. The process of formation of a nanofilm proceded not uniformly. At first, epitaxial atoms were assembled at the edges of the pore. Then it gradually filled. In some cases, the relief of the nanofilm was bumpy. The temperature graph shows the moment of transition of the deposited atoms from the free state to liquid and solid. The pore filling was tracked through the depth of the center of mass in the pore and the percentage of atoms deposited in the pore. The center of mass of deposited atoms receded to the middle of the pore depth with increasing pore radius. The structure of the nanofilm and substrate was controlled using the ideal lattice parameter. The substrate remained amorphous throughout the study. The reconstruction of the atomic structure is observed in nanofilms during epitaxy. %8 2017-11-29