Abstract
Binary collision approximation (BCA) calculation allows for two types of damage calculation: full cascade and quick calculations. Full cascade mode describes fully the cascades while in quick calculations, only the trajectory of the ion is followed and effective formulas give an estimation of the damage resulting from each collision of the ion. We implement quick calculation of damage in the Iradina code both for elemental and multi-component solids. Good agreement is obtained with SRIM. We show that quick calculations are unphysical in multi-component systems. The choice between full cascade and quick calculations is discussed. We advise to favour full cascade over quick calculation because it is more grounded physically and applicable to all materials. Quick calculations remain a good option for pure solids in the case of actual quantitative comparisons with neutron irradiations simulations in which damage levels are estimated with the NRT (Norgett-Robinson and Torrens) formulas.
Highlights
In the nuclear context, ion irradiation is used as a way to study materials under radiation
Thanks to molecular dynamics (MD) simulations [6,7] and experiments [8], it has been known for decades that Binary collision approximation (BCA) codes overestimate the number of created defects by primary damage
We have presented our implementation of Quick-Calculations in the Iradina code
Summary
Ion irradiation is used as a way to study materials under radiation. SRIM comes with a graphical user interface, which makes it easy to use It has been and remains extensively used as the common tool to estimate primary damage and implantation profiles. In SRIM, two main types of damage calculation exist: full cascade (FC) and quick calculation (QC) In both modes, the trajectory of the incoming ion through its successive collisions is followed, until its kinetic energy falls below a given threshold where it is stopped. This is because it relies on the formalism implemented originally in the Corteo code [12] which has been developed by François Schiettekatte for ion beam analysis In this code, the calculation of the scatterings use logarithmicallyscaled stopping tables which greatly speeds up the calculation. We discuss QC in non-elemental solids and give our opinion on how to choose between FC and QC calculations
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