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Aluminum. II. Derivation of C v0from C p and comparison to C v0 calculated from anharmonic models

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Abstract

The specific heat at constant pressure, C p, of aluminum measured by Ditmars, Plint, and Shukla has been reduced to the volume V 0 appropriate for 0 K employing the Murnaghan equation. The C v0 thus obtained is compared with the theoretical C v0 calculated in the harmonic and the lowest-order anharmonic approximation from three different pseudopotentials (Harrison, Ashcroft, and Dagens-Rasolt-Taylor) as well as a phenomenological Morse potential. The higher-order (λ 4) anharmonic contributions are calculated from the same nearest-neighbor Morse potential as in the lowest-order anharmonic theory. The role of the vacancy and the higher-order anharmonic contributions to C v0 has been examined and we conclude that the λ 4 contributions to C v0 are much smaller than the vacancy contribution. After removal of the vacancy contribution, the reduced C v0 is found to be in excellent agreement with the Ashcroft and Harrison pseudopotentials as well as the Morse potential including the λ 2 and λ 4 contributions to C v0.

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Shukla, R.C., Plint, C.A. & Ditmars, D.A. Aluminum. II. Derivation of C v0from C p and comparison to C v0 calculated from anharmonic models. Int J Thermophys 6, 517–532 (1985). https://doi.org/10.1007/BF00508894

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