Mechanism of swift chemical sputtering: Comparison of Be/C/W dimer bond breaking

Current and future tokamak-like fusion reactors include the three elements Be, C, and W as the plasma-facing materials. During reactor operation, also mixtures of all these elements will form. Hence it is important to understand the atom-level mechanisms of physical and chemical sputtering in these materials. We have previously shown that athermal low-energy sputtering of pure C and Be can be understood by the swift chemical sputtering mechanism, where an incoming H (or D or T) ion enters between two atoms and pushes them apart. In the current article, we examine the model system of D impacting on a single dimer to determine the detailed mechanism of bond breaking and its probability for the Be₂, C₂, W₂, WC, BeW, and BeC dimers. The results are found to correlate well with recent experiments and simulations of sputtering of the corresponding bulk materials during prolonged H isotope bombardment.