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 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 12 Issue: 1
  • Publication Date: 2004
  • Doi Number: 10.1088/0965-0393/12/1/010
  • Journal Name: MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING
  • Journal Indexes: Science Citation Index Expanded, Scopus
  • Page Numbers: pp.109-120

Abstract

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.