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A molecular dynamics study on iridium

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Ferah G., Colakoglu K., Ciftci Y., Ozgen S., Kazanc S.
Open Physics
|
2007
|
vol. 5
|
issue 2
207-220
EN
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.
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