Ab-initio simulation of dissoilution energy of carbon atom in the paramagnetic state of FCC-iron

Authors

  • Yaroslav Maksimovich Ridnyi Author
  • Aleksander Aminulaevich Mirzoev Author
  • Dzhalal Aminulovich Mirzaev Author

Abstract

Ab-initio simulation of an equilibrium structure and FCC-iron characteristics was carried out using the WIEN2k software package. The dissolution energy of a carbon atom in the paramagnetic states of FCC-iron was calculated according to statistical methods, obtaining the result of 0,25 ± 0,09 eV

Author Biographies

  • Yaroslav Maksimovich Ridnyi
    Student
  • Aleksander Aminulaevich Mirzoev
    Dr. Sc. (Physics and Mathematics), Professor, General and Theoretical Physics Department
  • Dzhalal Aminulovich Mirzaev
    Dr. Sc.(Physics and Mathematics), Professor, Department of Physical Metallurgy and Material Science

Published

2014-10-01

Issue

Vol. 6 No. 3 (2014)

Section

Physics