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A benchmark for some bulk properties of bcc iron
(Multi-Science Publishing Co. Ltd, 2013)
Some bulk properties of bcc iron were calculated. Structural and elastic properties such as cohesive energy, bulk modulus, typical elastic constants and vacancy formation energy were calculated for zero Kelvin temperature. ...
Geometry optimization calculations for the elasticity of gold at high pressure
(2013)
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 ...