Abstract
The evolution of cascades of atomic displacements in solids is analyzed. The charge-exchange, ionization, and elastic scattering cross sections are calculated for the atoms and ions involved in cascade evolution. The effects due to the material density are taken into account. These results are used to perform the first Monte Carlo computations of cascades based on the knowledge of microscopic processes without invoking phenomenological potentials. The proposed approach is unique in that detailed characteristics of atomic processes are obtained by ab initio calculation and applied to analyze cascades of atomic displacements. Subcascade development is described, and a relation between the number of Frenkel pairs and the energy of the primary knock-on atom is found for a wide energy range. This provides a basis for characterizing the dose dependence of the hardening of reactor pressure vessel steel and for comparing the effects of primary radiation damage for fission and fusion reactors.
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