Abstract: "Brenner-LJ potential is adopted to describe the interactivity between diamond and C36 cluster, and the deposition mechanism of multi-C36 on the diamond surface is researched by molecular dynamics simulation. Through simulative experiments the incident energy, incident point, incident posture, incident angle and other factors are analyzed. Studies discover that the minimal deposition threshold is 20 eV and the maximum is 60 eV with the different incident point locations and incident postures of C36 clusters. When the incident angle is not over 60ffi, C36 may roll or slip to the region of smaller bonding energy and then bond. So the bonding probability is raised. Research results show that when incident angle is between 0ffi and 20ffi and incident energy range is from 30 eV to 60 eV, it is the optimal condition of single C36 cluster deposition on diamond (100) crystal plane."