A molecular dynamics study on iridium


Ferah G., Colakoglu K., Ciftci Y. , Ozgen S., Kazanc S.

CENTRAL EUROPEAN JOURNAL OF PHYSICS, cilt.5, sa.2, ss.207-220, 2007 (SCI İndekslerine Giren Dergi) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 5 Konu: 2
  • Basım Tarihi: 2007
  • Doi Numarası: 10.2478/s11534-007-0011-z
  • Dergi Adı: CENTRAL EUROPEAN JOURNAL OF PHYSICS
  • Sayfa Sayıları: ss.207-220

Özet

In this study, molecular dynamics simulations are performed by using a modified form of Morse potential function in the framework of the Embedded Atom Method (EAM). Temperature-and pressure-dependent behaviours of bulk modulus, second-order elastic constants (SOEC), and the linear-thermal expansion coefficient is calculated and compared with the available experimental data. The melting temperature is estimated from 3 different plots. The obtained results are in agreement with the available experimental findings for iridium. (c) Versita Warsaw and Springer-Verlag Berlin Heidelberg. All rights reserved.