V. G. Zavodinskу, O. A. Gorkusha, “Energetics and electronic structure of amorphous metals and coatings”, Comp. nanotechnol., 2019, Volume 6, Issue 1,Pages <nobr>26

05.02.00. MECHANICAL ENGINEERING
05.02.07 TECHNOLOGY AND EQUIPMENT OF MECHANICAL AND PHYSICS AND TECHNOLOGY PROCESSING

Energetics and electronic structure of amorphous metals and coatings

V. G. Zavodinskу^a, O. A. Gorkusha^b

^a Institute for Material Studies, Khabarovsk Division, Far-Eastern Branch of the Russian Academy of Sciences, Khabarovsk
^b Applied Mathematics Institute, DVO, Academy of Sciences of the USSR, Kabarovsk Branch

Abstract: Simulation of amorphous metals (Al and Ti) and their contact are carried out by methods of the density functional theory. It is shown that amorphous metals can demonstrate approximately the same cohesive energy that crystalline metals. Densities of electronic states were calculated and compared for amorphous and crystalline metal states. Values of adhesion energy for contacts “crystal - crystal”, “crystal - amorphous system”, and “amorphous system - amorphous system” were compared.

Keywords: amorphous metals; simulation; cohesive energy; adhesion energy; electronic structure.