Structural transformations in binary Ni₆₂Nb₃₈ alloy at ultrahigh temperatures

Abstract

In this study, we performed the molecular dynamics simulation of the binary Ni62Nb38 alloy at heating from 300 K to 9000 K. The temperature dependences of the density and the fraction of liquid atoms were calculated. The boiling temperature of the system is determined. It has been established that near the temperature 7000 K the system undergoes phase transition from liquid to gas phase. It is shown that near the boiling temperature, the molten metal forms a branched structure. The obtained results made it possible to estimate the region of the liquid phase and to determine the probable scenario for the occurrence of structural changes near the boiling point.