Calculation of the state equation and the isobaric size dependencies of molybdenum nanocrystal

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