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KIAM Preprint  24, Moscow, 2010
Authors: Ovechkin A.A., Novikov V. G., Grushin A. S.
The Features of Entropy Computation in Self-consistent Field Models
Abstract:
Computation of entropy in models of self-consistent field causes certain difficulties associated with the specific behavior of the entropy at low temperatures in models with different details of the electron energy spectrum. The paper discusses the behavior of the entropy of the electrons in the two self-consistent field models, widely used nowadays, - in the Liberman's (INFERNO) model and in the quasizone model. Main attention is paid to low temperatures, in particular, we show that in the Liberman's model entropy of electrons at low densities and T=0 takes the non-zero value depending on the relativistic or nonrelativistic versions of the model. In quasizone model at low densities of matter and T=0 electronic entropy is equal to zero. In addition, we show that at low temperatures the entropy in the Liberman's model at high densities gradually reaches the asymptotic of the Thomas-Fermi model (TF), while in the quasizone model smooth behavior at high densities towards the TF asymptotic can be not observed.
Publication language: russian,  pages: 25
Research direction:
Mathematical modelling in actual problems of science and technics
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About authors:
  • Ovechkin A. A.,  KIAM RAS
  • Novikov Vladimir Grigorevich,  KIAM RAS
  • Grushin Alexander Sergeevich,  orcid.org/0000-0003-0106-6098KIAM RAS