Geometry Optimization Calculations for the Elasticity of Gold at High Pressure
Author(s) -
E. Güler,
M. Güler
Publication year - 2013
Publication title -
advances in materials science and engineering
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.356
H-Index - 42
eISSN - 1687-8442
pISSN - 1687-8434
DOI - 10.1155/2013/525673
Subject(s) - materials science , bulk modulus , shear modulus , elastic modulus , elasticity (physics) , modulus , young's modulus , shear (geology) , thermodynamics , metal , volume (thermodynamics) , composite material , metallurgy , physics
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
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