Molecular dynamics simulations of CH3 sticking on carbon first wall structures

Abstract Tight-binding molecular dynamics simulations were used to obtain sticking cross-sections for CH 3 radical chemisorption on unsaturated carbon atom sites on carbon surfaces. Our results show that the chemisorption of a CH 3 radical is affected both by the angle of incidence of the radical and the local atomic neighborhood of the dangling bond. The sticking cross-sections are compared with experimental results and the implications of our modeling on C:T film growth in fusion devices are discussed.