Orientation dependence of the interfacial energies of chromium and α-iron crystals at boundaries with nonpolar organic liquids

详细

Interfacial energies of chromium and α-iron at boundaries with nonpolar organic liquids are calculated within the modified variant of the statistical electron method. Calculations are performed with allowance for dispersion, oscillatory, polarization corrections and the contribution from temperature. The dependence of the interfacial energy on the orientation of metallic crystals, and on the macroscopic dielectric permeability of the organic liquid, is established. The profiles of the potential and electron density at the boundary of the phase separation are considered.