Structural and energetic features of AlnTinNin (n=1-16) nanoparticles: molecular-dynamics simulations

Oymak H., Erkoc S.

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, vol.12, no.1, pp.109-120, 2004 (SCI-Expanded) identifier identifier


Using an empirical potential energy function parametrized for the AlTiNi ternary system, minimum-energy structures of AlnTinNin (n = 1-16) ternary alloy nanoparticles have been determined by performing molecular dynamics simulations. The structural and energetic features of the nanoparticles obtained have been investigated.