C-60-C-60 COLLISIONAL REACTIONS AND DEFECTS PATTERN OF FULLERENE-LIKEPRODUCTS

Collisional reaction channels for two C-60 molecules colliding at diff erent energies, impact parameters and collisional orientations are stu died using a molecular dynamics (MD) simulation method. The stable str uctures and the topological and coordinated defects of the reaction pr oducts are analyzed using a Langevin molecular dynamics (LMD) simulati on scheme. The electronic structures around the defects are obtained u sing a self-consistent field Hartree-Fock (SCFHF) calculation. The res ults indicate that the reactions have very clear threshold energies an d have deep inelastic behavior which are in close analogy to nuclear h eavy-ion collisions. The defects pattern obeys a magic rule, and the r ing structure of the fullerene-like products can be described by a for mula deduced from Euler's theorem. (C) 1998 Elsevier Science B.V.