https://doi.org/10.1051/epjconf/201715103002
Ab-initio study of several static and dynamic properties of liquid palladium and platinum
1 Departamento de Física Teórica, Universidad de Valladolid, Valladolid, Spain
2 Department of Theoretical Physics, University of Dhaka, Dhaka
3 Department of Mathematics, University of Dhaka, Dhaka
* e-mail: luisen@metodos.fam.cie.uva.es
Published online: 21 August 2017
We report a study on several static and dynamic properties of liquid Pd and Pt metals at thermodynamic conditions near their respective triple points. The calculations have been carried out by an ab initio molecular dynamics simulation technique. Results are reported for several static structural magnitudes which are compared with the available X-ray diffraction. As for the dynamic properties, results have been obtained for both single and collective dynamical magnitudes as well as for some transport coeffcients which are compared with the corresponding experimental data.
© The Authors, published by EDP Sciences, 2017
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