The calculation of P-T diagrams of Al using molecular dynamic simulation


Ciftci Y., Ugurluoglu N., Colakoglu K., Demircioglu Z.

6th International Conference of the Balkan-Physical-Union, İstanbul, Turkey, 22 - 26 August 2006, vol.899, pp.590 identifier identifier

  • Publication Type: Conference Paper / Full Text
  • Volume: 899
  • Doi Number: 10.1063/1.2733331
  • City: İstanbul
  • Country: Turkey
  • Page Numbers: pp.590
  • Gazi University Affiliated: Yes

Abstract

In this work, molecular dynamic (MD) simulations are performed for Al based on the embedded atom method (EAM). P-T diagrams are determined, the bulk moduli, the radial distribution functions, are also calculated. The computed thermodynamic parameters are found, generally, to be in good agreement with the available experimental data.