Computer simulations of sputtering and fragment formation during keV C 60 bombardment of octane and β ‐carotene

Molecular dynamics computer simulations are used to investigate material ejection and fragment formation during keV C 60 bombardment of organic solids composed from small (octane) and medium ( β ‐carotene)‐sized organic molecules. Both systems are found to sputter efficiently. For the octane system, material removal occurs predominantly by ejection of intact molecules, whereas fragment emission is a main ejection channel for β ‐carotene. A difference in the molecular dimensions is proposed to explain this observation. Fragment formation is investigated to answer the question why so few fragments remain in the bombarded solid. Copyright © 2014 John Wiley & Sons, Ltd.