New Monte-Carlo based simulation program suitable for low-energy ions irradiation in pure materials

Abstract

A new Monte-Carlo-based computer program (RDS-BASIC) is developed to simulate the transport of energetic ions in pure matter. This computer program is utilizing an algorithm that uses detailed numerical solutions for the classical scattering integral for evaluating the outcomes of the binary collision processes. This approach is adopted by several prominent similar simulation programs and is known to provide results with higher accuracy compared to other approaches that use approximations to shorten the simulation time. Furthermore, RDS-BASIC simulation program contains special methods to reduce the displacement energy threshold of surface atoms. This implementation is found essential for accurate simulation results for sputtering yield in the case of very low energy ions irradiation (near sputtering energy threshold) and also successfully solve the problem of simultaneously obtaining an acceptable number of atomic displacements per incident ions. Results of our simulation for several irradiation systems are presented and compared with their respective TRIM (SRIM-2013) and the state-of-the-art SDTrimSP simulation results. Our sputtering simulation results were also compared with available experimental data. The simulation execution time for these different simulation programs has also been compared.

Keywords

• Monte-Carlo method
• Ion beam irradiation
• Sputtering yield
• Classical scattering integral
• Displacement energy threshold
• Helium