Reconstruction of atomic models of amorphous alloys by structure data

Several atomic models of Fe2Tb amorphous alloy, containing from 300 to 900 particles are reconstructed using a force algorithm. A model of Fe2Tb amorphous alloy, constructed by the method of continuous static relaxation (CSR) with three assigned interatomic potentials is used as a target system. Knowledge of one total pair correlation function (for X ray or neutron radiation) does not allow one to unambiguously reconstruct the alloy model. Knowledge of two total functions for two various radiation types allows one to reconstruct the amorphous alloy model with a high accuracy. Modification of force algorithm - a hybrid algorithm - allows one to reconstruct the amorphous alloy models in the state of mechanical equilibrium and to reconstruct simultaneously the pair force functions (pair potentials)