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, cilt.12, ss.109-120, 2004 (SCI İndekslerine Giren Dergi) identifier identifier

  • Cilt numarası: 12 Konu: 1
  • Basım Tarihi: 2004
  • Doi Numarası: 10.1088/0965-0393/12/1/010
  • Dergi Adı: MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
  • Sayfa Sayıları: ss.109-120

Özet

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.