Molecular dynamics simulation of impact response of buckyballs

Jun XU, Yueting SUN, Binglei WANG, Yibing LI, Yong XIANG, Xi CHEN

Research output: Journal PublicationsJournal Article (refereed)peer-review

12 Citations (Scopus)


The dynamic impact responses of buckyballs (from C60 to C 720) are investigated using molecular dynamics (MD) simulations. With respect to different buckling characteristics, the fullerenes may be divided into three categories. Upon the ricochet of the impactor, the deformation of the smaller buckyballs fully recovers whereas the inverted buckling morphology of the larger buckyballs remains. Thus, energy dissipation is more prominent in the larger fullerenes, and the percentage of dissipated energy is also larger upon higher speed impact. The present study may provide some preliminary insights on employing fullerenes as advanced energy dissipation materials.

Original languageEnglish
Pages (from-to)8-12
Number of pages5
JournalMechanics Research Communications
Publication statusPublished - Apr 2013
Externally publishedYes

Bibliographical note

The work is supported by National Natural Science Foundation of China (11172231 and 11102099), DARPA (W91CRB-11-C-0112), National Science Foundation (CMMI-0643726), Chinese Postdoctor Foundation, International joint research project sponsored by Tsinghua University (20121080050), Individual-research founding State Key Laboratory of Automotive Safety & Energy, Tsinghua University (ZZ2011-112), Changjiang Scholar Program from Ministry of Education of China, and World Class University program.


  • Buckyball
  • Energy dissipation
  • Impact
  • Non-recovery phenomenon


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