Molecular dynamics simulation of impact response of buckyballs

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

doi:10.1016/j.mechrescom.2013.01.003

Molecular dynamics simulation of impact response of buckyballs

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

Research output: Journal Publications › Journal Article (refereed) › peer-review

12 Citations (Scopus)

Abstract

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 language	English
Pages (from-to)	8-12
Number of pages	5
Journal	Mechanics Research Communications
Volume	49
DOIs	https://doi.org/10.1016/j.mechrescom.2013.01.003
Publication status	Published - Apr 2013
Externally published	Yes

Bibliographical note

Acknowledgements:
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.

Keywords

Buckyball
Energy dissipation
Impact
Non-recovery phenomenon

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10.1016/j.mechrescom.2013.01.003

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@article{31a79d470a364f07b8ae122472564643,

title = "Molecular dynamics simulation of impact response of buckyballs",

abstract = "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.",

keywords = "Buckyball, Energy dissipation, Impact, Non-recovery phenomenon",

author = "Jun XU and Yueting SUN and Binglei WANG and Yibing LI and Yong XIANG and Xi CHEN",

note = "Acknowledgements: 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.",

year = "2013",

month = apr,

doi = "10.1016/j.mechrescom.2013.01.003",

language = "English",

volume = "49",

pages = "8--12",

journal = "Mechanics Research Communications",

issn = "0093-6413",

publisher = "Elsevier Ltd",

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TY - JOUR

T1 - Molecular dynamics simulation of impact response of buckyballs

AU - XU, Jun

AU - SUN, Yueting

AU - WANG, Binglei

AU - LI, Yibing

AU - XIANG, Yong

AU - CHEN, Xi

N1 - Acknowledgements: 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.

PY - 2013/4

Y1 - 2013/4

N2 - 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.

AB - 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.

KW - Buckyball

KW - Energy dissipation

KW - Impact

KW - Non-recovery phenomenon

UR - http://www.scopus.com/inward/record.url?scp=84873640743&partnerID=8YFLogxK

U2 - 10.1016/j.mechrescom.2013.01.003

DO - 10.1016/j.mechrescom.2013.01.003

M3 - Journal Article (refereed)

AN - SCOPUS:84873640743

SN - 0093-6413

VL - 49

SP - 8

EP - 12

JO - Mechanics Research Communications

JF - Mechanics Research Communications

ER -

Molecular dynamics simulation of impact response of buckyballs

Abstract

Bibliographical note

Keywords

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