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Embedded atom method-based geometry optimization aspects of body-centered cubic metals
(2013)
We present embedded atom method-based geometry optimization calculations for Fe, Cr, Mo, Nb, Ta, V and W body-centered cubic metals with Finnis - Sinclair potentials. After the optimization, we determine their typical ...
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 ...