Sputtering computer simulation

In secondary-ion mass spectrometery (SIMS) and its sister technique fast atom bombardment mass spectrometry (FARMS), a surface is bombarded with energetic particles, and the kinetic energy of the particles converts substrate and chemisorbed atoms and molecules to gas-phase species. The ejected (or sputtered) material is subsequently interrogated using various analytical tools, such as lasers and mass spectrometers, to indirectly deduce information about the initial surface. The relationships between sputtered material and the surface, however, are not always clear, and erroneous conclusions are easily made. Computer simulations have demonstrated that a fundamental understanding of the sputtering process is required to interpret experimental data fully ... 

Sputtering has been modeled using both Monte Carlo and molecular dynamic computer simulations. A review of the simulation literature is given in Eckstein (1991). 

Eckstein W, Urbassek HM (2007) Computer simulation of the sputtering process in Sputtering by Particle Bombardment IV . In Behrisch R, Eckstein W (eds) Topics in applied physics, vol 110. Springer, Berlin, pp 21—31 EFDA (2005) Final report on conceptual power plant study, EFDA report EFDA-RP-RE-5.0 Erckmann W et al (2007) Fusion Sci Technol 53 279 Federici G, Skinner CH, Brooks JN, Coad JP, Grisolia G, Haasz AA, Hassanein A, Philipps V, Pitcher GS, Roth J, Wampler WR, Whyte DG (2001) Plasma-material interactions in current tokamaks and their implications for next step fusion reactors. Nucl Fusion 41 1967-2137... 

Behrisch R, Eckstein W. Sputtering by Particle Bonbardment Experiments and Computer Simulations from Threshold to MeV Energies. Berlin Sprinler-Verlag 2007. 

Much of this theory has been incorporated into computer simulations of sputtering and ion damage processes. Thus, it is rare to actually employ these expressions directly given the avadabdity of programs such as TRIM, a Monte Carlo type simulation of the collision cascade in sohds struck with ions. [15]... 

The number of atoms sputtered by a single incident ion varies with an ion s individual trajectory. Figure 15 shows the distribution of sputtered particles per incident ion at four different primary energies. As the collision energy increases from 100 to 1000 eV, the most probable yield shifts from 0 to 5 sputtered atoms per ion impact. The computer program, TRIM, mentioned earlier, provides quantitative simulations of both sputtering thresholds and yields. ... 

These are but a few of the scenarios being opened up by the implementation of classically based simulations. Indeed, the effectiveness of the theory used also allows for the irradiation-induced diffusion, segregation, and ripple topography growth apparent on and within various single and multicomponent substrates to be modeled (Liedke, et al. 2013). Note Although quantum mechanics would provide the more correct theoretical description, sputtering simulations based around such an approach would be far more expensive computationally with little benefit added. 

---