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Effective potential for many-body interactions in some properties of the HFD-like solids

Author

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  • Abbaspour, Mohsen
  • Farmanbar, Alireza
  • Borzouie, Zahra

Abstract

We have determined the room-temperature equation of state for the HFD-like solids (such as Ar, Kr, Xe, CH4, CO2, N2, and O2) using the two-body HFD-like potentials from molecular dynamics simulation at high pressures. A simple and accurate empirical many-body expression has also been used with the two-body potential for the HFD-like solids without requiring an expensive three-body calculation. The configurational energy and the exact equation of state using the new model have been obtained in good agreement with the experiment. Our predicted results of the elastic constants also indicated that our new effective (many-body corrected) potential improves the two-body values of solids Ar, Kr, and CO2 to get better agreement with the experiment.

Suggested Citation

  • Abbaspour, Mohsen & Farmanbar, Alireza & Borzouie, Zahra, 2015. "Effective potential for many-body interactions in some properties of the HFD-like solids," Physica A: Statistical Mechanics and its Applications, Elsevier, vol. 439(C), pages 20-33.
    • Handle: RePEc:eee:phsmap:v:439:y:2015:i:c:p:20-33
    DOI: 10.1016/j.physa.2015.07.017
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