A molecular dynamics study on iridium

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

CENTRAL EUROPEAN JOURNAL OF PHYSICS, vol.5, no.2, pp.207-220, 2007 (SCI-Expanded) identifier identifier


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.