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Atom packing changes of Ti nanoparticles on heating by molecular dynamics simulations

Friday (10.11.2017)
11:15 - 11:35
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Additive manufactured Ti-based alloys have attracted intensive attention in recent

years. The microstructures and mechanical properties are greatly affeced by the

atom packing in the pre-preparation metal particles.

When temperature increases, these particles present different behaviors in their structural changes from their bulk conunterparts as their size is decreased. However, it is hardly predicted

for the effects of temperature and contained atom number on the atom movements of these particles. In this work, we demonstrate atom packing changes of Ti particles at nano-scale on heating by means of atomic simulations. By modifying annealing temperature, different pathways are observed. The simulation results show that the heating temperature has large effect on the atom movements and the scenario of the formation and growth of local structures in the

particles is different.

Dr. Lin Zhang
Northeastern University


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