Geometry optimization calculations for the elasticity of gold at high pressure


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Guler E. , Guler M.

Advances in Materials Science and Engineering, vol.2013, 2013 (Peer-Reviewed Journal) identifier identifier

  • Publication Type: Article / Article
  • Volume: 2013
  • Publication Date: 2013
  • Doi Number: 10.1155/2013/525673
  • Journal Name: Advances in Materials Science and Engineering
  • Journal Indexes: Science Citation Index Expanded, Scopus

Abstract

We present embedded atom method based geometry optimization aspects of pressure effect on some elastic and mechanical properties of gold. During study, we determined the pressure dependency of equilibrium volume, typical cubic elastic constants, bulk modulus, shear modulus, young modulus, and elastic wave velocities of the considered metal with varying pressure between 0 GPa and 1000 GPa. Finally, we carried out a benchmark between our results and other available theoretical calculations and experimental data. The results of the study mutually agree with the previous findings and provide a deeper outlook for high pressure behavior of the studied metal. © 2013 E. Güler and M. Güler.