Calculation of the state equation and the isobaric size dependencies of molybdenum nanocrystal
Institute for Geothermal Research of the Dagestan Scientific Center of RAS
Abstract: On the basis of the RP-model the equation of state of the bcc-molybdenum nanocrystal has been calculated that accounts its size and shape. It is shown that the isobaric size dependencies of the Debye temperature and the first Grüneisen parameter increase with increasing temperature. The surface energy isotherms for macrocrystal and nanocrystal intersect. In a particular area the surface energy of nanocrystal becomes higher than that of macrocrystal.
Keywords: equation of state, nanocrystal, molybdenum, size, shape.
Akhmedov, E.N. Calculation of the state equation and the isobaric size dependencies of molybdenum nanocrystal / E.N. Akhmedov // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials: Interuniversity collection of proceedings / Ed. by V.M. Samsonov, N.Yu. Sdobnyakov. – Tver: TSU, 2017. – I. 9. – P. 49-56.
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