The problem of obtaining crystaline phases during cooling binary nanoparticles Au-Co and Ti-V

Abstract

The processes of structure formation in Co-Au and Ti-V metal nanoparticles as well as factors affecting the crystallization process are considered. The objects of the study were Co-Au and Ti-V binary nanoparticles containing N = 400, 800, 1520 and 5000 atoms with the equiatomic composition. The computer experiment was carried out using method of molecular dynamics. The interatomic interaction was described by the tight-binding potential. According to the results of a series of computer experiments, it was found that the main factors influencing the possibility of obtaining crystalline phases are: the cooling rate of binary nanoparticles, their size and the size mismatch of atoms included in the composition, as well as the nature of the interaction of metal atoms. The manifestation of stability/instability in binary nanoparticles may be due to patterns of formation of crystalline phases. Moreover, the tendency to segregate one of the components in a binary system may not be the main factor determining the stability/instability of such a system.

Keywords

• molecular dynamics method
• tight binding potential
• binary nanoparticles
• cobalt
• gold
• titanium
• vanadium
• dimensional mismatch
• crystallization