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Molecular Dynamics Simulations of Hypervelocity Buckminsterfullerene Collisions

Published online by Cambridge University Press:  15 February 2011

D.H. Robertson ,
D.W. Brenner  and
C.T. White
D.W. Brenner
Affiliation:
Theoretical Chemistry Section, Naval Research Laboratory, Washington, DC 20375
C.T. White
Affiliation:
Theoretical Chemistry Section, Naval Research Laboratory, Washington, DC 20375
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Abstract

Molecular dynamics simulations of high-energy collisions between various combinations of C60 and C70 fullerenes were performed to calculate the threshold for molecular fusion of these clusters as a function of the center-of-mass collision energy. For collision energies below 90 eV, only non-reacting collisions occurred with no observation of any fusion. However, at higher collision energies molecular fusion of the colliding clusters was observed with the fusion probability approaching 1 by 160 eV collision energy. The non-fusing, rebounding collisions showed deeply inelastic behavior with the loss of translational energy to internal energy varying from 50 to 70 percent.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 359: Symposium G – Science and Technology of Fullerene Materials , 1994 , 198
Copyright
Copyright © Materials Research Society 1995

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References

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