Influence of aluminum shell on the process of devitrification of amorphous titanium nanoparticles: molecular dynamics simulation

A study of the amorphous nanoparticle devitrification process of titanium during heating at a rate of 5∙10¹¹ K/s in vacuum conditions and with the presence of aluminum shell was conducted using molecular dynamics modeling. It was shown that the presence of an aluminum shell leads to a significant increase in the nanoparticle devitrification temperature of titanium. For the considered particle sizes (with diameter from 1.75 to 11 nm)
the difference was approximately 200 K. In addition, it was discovered that in vacuum conditions, crystalline embryos are primarily formed near the surface of the particle, while in the presence of an aluminum shell, they are formed, on the contrary, first in the volume of the particle. Thus, according to the results of molecular dynamics modeling, a decrease in the size of titanium particles and the presence of an aluminum shell increase the temperature range for the existence of the amorphous phase of titanium.