Thermodynamics of Aluminium and Magnesium-Base Interstitial Solutions II. Energy of Mixing of Binary and Ternary Alloys Academic Article uri icon

abstract

  • The energy of disordered solid interstitial solutions and the energy of mixing in these solutions up to the second order of perturbation theory in pseudopotential is discussed. The correspondence of items, defining the band structure energy in interstitial and substitutional solutions is established. A comparative analysis of the contributions to the total energy of boron and carbon solutions in aluminium is performed. Numerical calculations show that the increase of impurity concentration results in the relaxation of elastic stresses, which is indicated by the decrease of quasielastic Fourier-transform forces. The applicability of the perturbation theory in pseudopotentials limited to second-order terms in the calculations of the energy of mixing in dilute interstitial solutions is analyzed. The alloying effect on the positive energy of mixing is discussed. [Russian Text Ignored]

publication date

  • July 1, 1982