A molecular dynamics study on iridium |
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| Authors: | Gülen Ferah Kemal Colakoglu Yasemin Oztekin Ciftci Soner Ozgen Sefa Kazanc |
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| Affiliation: | (1) Department of Physics, Faculty of Arts and Sciences, Gazi University, 06500 Ankara, Turkey;(2) Department of Physics, Faculty of Arts and Sciences, Firat University, 23119 Elazig, Turkey |
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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. |
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| Keywords: | Molecular dynamics simulation embedded atom method phase diagrams elastic constants |
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