A new thermodynamic description of pure silicon from 0 K at 1 barстатья
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Дата последнего поиска статьи во внешних источниках: 1 мая 2024 г.
Аннотация:Third-generation Calphad models have been applied to describe the thermodynamic properties of pure crys-talline and liquid/amorphous silicon. The extended Planck-Einstein model was used to evaluate the standardentropies at 298.15 K; the values for the amorphous phase were reported for the first time. A new approach wasproposed for the evaluation of parameters for the two-state liquid model for pure silicon. In the majority ofprevious 3rd-generation CALPHAD assessments it was proposed to fix the enthalpy or entropy parameters of theΔGdif equation, which could result in the inability of the model to describe the thermodynamics of the fusion ofthe pure elements. The alternative approach is to derive these parameters from the fixed fraction of translational(liquid-like) atoms at the fusion temperature and to compare the results with the heat capacity data. The newmodel representation of the liquid/amorphous phase allows us to obtain a better description of the experimentaldata for the isobaric heat capacity of the liquid phase