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    STUDIA PHYSICA - Issue no. 2 / 2007  
         
  Article:   TIGHT-BINDING MOLECULAR DYNAMICS SIMULATIONS OF RADIATION INDUCED FRAGMENTATION OF C60.

Authors:  LÓRÁND HORVÁTH, TITUS A. BEU.
 
       
         
  Abstract:  The fragmentation of C60 fullerene was investigated using tight-binding molecular dynamics simulations based on the parameterization of Papaconstantopoulos et al. 1. By averaging the fragment size distributions obtained from random sets of initial configurations, the radiation induced fragmentation in the 50-500 eV excitation energy range was studied. For high excitation energies, predominantly multifragmentation occurs and a power-law dependence of the small fragments is observed. For low excitation energies, the fragment size distributions are peaked at values higher than 1. A phase transition is found in the 100-120 eV energy range. The results are compared with experimental time of flight fragment size distributions and are in good agreement with similar studies.  
         
     
         
         
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