Structure properties of liquid fcc transition metals using the embedded atom method potential

DALGIÇ S., DALGIÇ S., DÖMEKELİ Ü.

Journal of Optoelectronics and Advanced Materials, cilt.5, sa.5, ss.1263-1270, 2003 (SCI-Expanded, Scopus) identifier

  • Yayın Türü: Makale / Özet
  • Cilt numarası: 5 Sayı: 5
  • Basım Tarihi: 2003
  • Dergi Adı: Journal of Optoelectronics and Advanced Materials
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
  • Sayfa Sayıları: ss.1263-1270
  • Anahtar Kelimeler: Embedded atom method, Liquid structure, Liquid transition metals
  • Trakya Üniversitesi Adresli: Evet

Özet

The liquid structure calculations for fcc transition metals using the variational modified hypernetted chain liquid state theory with a new embedded atom method (EAM) model have been p resented. In this model, an analytic construction of a many - body potential inspired from the Mishin et. al. [Phys. Rev. B 63, 224106, 2001] potential functions is presented. The new model has been applied to calculate the structural properties of fcc transition metals for Cu, Ag, Au and Ni near their melting points. The computed static structure factors and pair distribution function are in good agreement with the experimental data.