Alexander N Zinoviev
Ioffe Institute St Petersburg, Russia
Title: Interatomic potentials, atom energy and screening constants
Biography
Biography: Alexander N Zinoviev
Abstract
Simple formulae for estimating atom energy (the electron subsystem energy of atom) and screening constant have been proposed. The formula for the screening constant fits well experimental data on interaction potentials. Quantitative description of the experiment for the effect of electronic screening on the nuclear synthesis reaction cross-section for the D+/-D system has been obtained. A conclusion has been made that the diff erences between the measured cross-sections and their theoretically predicted values which take place in more complicated cases of nuclear synthesis reactions are not caused by uncertainties in the knowledge of interatomic potentials. The interatomic potential determines the nuclear stopping power in materials. Experimental data prove that the approach of determining interatomic potentials from quasielastic scattering can be successfully used. Experimental data on the scattering of atomic particles were analyzed and an analytical potential form was proposed as the best fi t of the available experimental data. It is shown that Application of any universal potential is limited to internuclear distances R<7 af (af is the Firsov length).Th e paper discusses pair-specifi c interatomic potentials determined both experimentally and by density-functional theory simulations with the DMol approach to choosing basic wave functions. The interatomic potentials calculated using the DMol approach demonstrate an unexpectedly good agreement with experimental data. Diff erences are mainly observed for heavy atom systems, which suggests that they can be improved by extending the basis set and more accurately considering the relativistic eff ects. Th ese data are recommended for modeling collision cascades in ion-solid collisions.New methods to obtain potential parameters from rainbow scattering features in the atom–metal surface collisions are discussed. Obtained results diff er strongly from the known binary potential models. This difference is explained by the infl uence of interaction of the projectile with metal electrons. Observed patterns of black-body radiation.