On the spline approximation of low-temperature calorimetry data |
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Authors: | V. A. Titov L. I. Chernyavskii I. A. Voronin A. N. Kornilov |
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Affiliation: | (1) Institute of Inorganic Chemistry, Siberian Division, Russian Academy of Sciences, pr. akademika Lavrent’eva 3, Novosibirsk, 630090, Russia |
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Abstract: | An algorithm for the spline approximation of heat capacity taking into account the Debye or Tarasov asymptotes in extrapolation from the first experimental temperature to 0 K was developed. The possibility of applying other boundary conditions that do not contradict the modern concepts of the behavior of heat capacity as a function of temperature is considered. A procedure for selecting the smoothing parameter based on a priori specifying the number of inflection points in the smoothing dependence is suggested. Possibilities for estimating the accuracy of approximation with the use of the orthogonal functions are discussed. |
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