Abstract
AbstractThe second‐, third‐, and fourth‐order elastic constants at T = 0 °K have been calculated using the Mie‐Lennard‐Jones 12‐6 potential, the Buckingham 14‐6 potential, and the Morse potential. The zero‐point contribution to the second‐ and third‐order constants was taken into account using the quasiharmonic approximation by obtaining the second and fourth moments of the harmonic frequency distribution. The pressure dependence of the second‐order constants has been evaluated and thus the pressure dependent bulk modulus. From the bulk modulus 0 °K isotherms for Ne have been calculated and compared with experiment.
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