Validity of the Stokes−Einstein relation in liquid 3d transition metals for a wide range of temperatures

The validity of Stokes−Einstein (SE) relations obtained from both slip and stick boundary conditions has been investigated for an extending temperature range approximately 250 K from the melting points of liquid Fe, Co and Ni using Dzugutov scaling scheme for transport coefficients. The basic ingredients of Dzugutov scaling scheme are the temperature dependent effective hard-sphere (HS) diameter, σ(T), and the excess entropy, Sex(T). Sex is calculated considering both two (S2) and many body approximations (ST) of liquid atoms. For both ingredients, we have applied variational modified hypernetted chain (VMHNC) integral equation theory in conjunction with both Brettonet−Silbert (BS) pseudopotential and many body potential obtained from embedded atom method (EAM). Calculated transport coefficients using the combination of EAM and ST are in better agreement with available literature values than any other applied combinations. We observe that SE relation holds for the studied representative systems when the combination of EAM potential and ST has been considered. •VMHNC theory is successful for verification of SE relation with BS and EAM potential.•Ingredients of scaling scheme are close to experiment when EAM model has been chosen.•EAM model with many-body excess entropy provides reliable transport coefficients.•SE relation is valid when EAM model with many-body excess entropy is chosen.•For atomic diffusion the claim of Hoyt et al. has been established.