Self-diffusion coefficients in liquid Ag using the embedded atom model based effective pair potentials

DALGIÇ S., ÇOLAKOĞULLARI M.

Turkish Journal of Physics, cilt.30, sa.4, ss.303-310, 2006 (Scopus, TRDizin) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 30 Sayı: 4
  • Basım Tarihi: 2006
  • Dergi Adı: Turkish Journal of Physics
  • Derginin Tarandığı İndeksler: Scopus, TR DİZİN (ULAKBİM)
  • Sayfa Sayıları: ss.303-310
  • Anahtar Kelimeler: Dynamic Properties, Self-diffusion
  • Trakya Üniversitesi Adresli: Evet

Özet

We present the dynamical properties of liquid Ag at different temperatures, using the Mishin and Doyoma-Kagure version of the Embedded Atom Model (EAM) potentials. They have been evaluated within the framework of the mode-coupling theory, using a self-consistent scheme that uses as input data only the static structure functions and the interatomic pair potentials of the liquid Ag. We have computed single-particle and collective time dependent properties of liquid Ag, and thereby calculated its self-diffusion constants. We have also discussed our results comparing with both experimental data, and results of molecular dynamic simulation. © TÜBİTAK.