Title of article :
Equation of state, elastic constants, and melting curve of solid neon using an effective two-body potential including quantum corrections
Author/Authors :
Abbaspour، نويسنده , , M. and Borzouie، نويسنده , , Z.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2014
Pages :
8
From page :
167
To page :
174
Abstract :
We have calculated the equation of state, elastic constants, and melting curve of solid neon using a two-body Hartree–Fock dispersion (HFD)-like potential from molecular dynamics simulation at high pressures. To take many-body forces into account, a new simple and accurate empirical expression has been used with the HFD-like potential without requiring an expensive three-body calculation. Quantum corrections have been considered using the Feynman–Hibbs (FH) approach for solid neon. The results indicate that our effective HFD-like potential including quantum corrections improves the prediction of the classical two-body results to get better agreement with experiment than many other models.
Keywords :
Many-body interaction , Quantum effect , equation of state , melting curve , Elastic constant
Journal title :
Fluid Phase Equilibria
Serial Year :
2014
Journal title :
Fluid Phase Equilibria
Record number :
1990160
Link To Document :
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