Abstract

The anharmonic thermal expansion (TE) coefficient of crystalline iron (Fe) has been calculated and analysed in the temperature-dependent. The thermodynamic parameters of the crystal lattice are derived from the influence of the thermal vibrations of all atoms. The calculation model is developed from the correlated Einstein model and quantum-statistical perturbation theory using the anharmonic effective potential. The obtained expression of the temperature-dependent TE coefficient of Fe is an explicit form. The numerical results of Fe agree well with those obtained from the experiments at various temperatures in the range from 0 K to 900 K. The obtained results show that the present model is efficient in investigating the TE coefficient of Fe.

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