A molecular dynamics study on iridium
Ferah Gülen, Colakoglu Kemal, Ciftci Yasemin and 2 more
Open Physics · 2007
doi:10.2478/s11534-007-0011-z (opens in a new tab)
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Abstract
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.
Abstract licence: CC BY-NC-ND
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