Thermodynamic properties of solid sodium from quasiharmonic lattice dynamics and molecular dynamics

Quasiharmonic-lattice-dynamics and molecular-dynamics calculations were performed on metallic Na from the low-temp. region to above melting at several different volumes. A pseudopotential model was used that consisted of a large volume--dependent potential plus a small effective two-body potential....

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Veröffentlicht in:Phys. Rev. B: Condens. Matter; (United States) 1982-06, Vol.25 (12), p.7807-7814
Hauptverfasser: Swanson, Richard E., Straub, Galen K., Holian, Brad L., Wallace, Duane C.
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Sprache:eng
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