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@ARTICLE{Verberck:21148,
author = {Verberck, B. and Cambedouzou, J. and Vliegenthart, G.A. and
Gompper, G. and Launois, P.},
title = {{M}onte {C}arlo {S}tudies of {C}60 and {C}70-{P}eapods},
journal = {Fullerenes, nanotubes $\&$ carbon nanostructures},
volume = {20},
number = {4-7},
issn = {1536-383X},
address = {London [u.a.]},
publisher = {Taylor $\&$ Francis},
reportid = {PreJuSER-21148},
pages = {371-377},
year = {2012},
note = {Helpful discussions with K. H. Michel, P.-A. Albouy and C.
Bousige are gratefully acknowledged. This work was
financially supported by the Research Foundation-Flanders
(FWO-Vl).},
comment = {.},
booktitle = {.},
abstract = {We present results of Monte Carlo simulations of chains of
C-60 and chains of C-70 molecules encapsulated in a
single-walled carbon nanotube (SWCNT). We observe the
changes in the configuration of the fullerene molecules when
varying tube radius and temperature. In particular, the
evolution of the pair correlation functions reveal a
transition from linear harmonic chain behavior to a
hard-sphere liquid upon heating, demonstrating the
possibility of tuning properties of C-60- and C-70@SWCNT
peapods with radius and temperature.},
keywords = {J (WoSType)},
cin = {ICS-2 / IAS-2},
ddc = {530},
cid = {I:(DE-Juel1)ICS-2-20110106 / I:(DE-Juel1)IAS-2-20090406},
pnm = {BioSoft: Makromolekulare Systeme und biologische
Informationsverarbeitung},
pid = {G:(DE-Juel1)FUEK505},
shelfmark = {Chemistry, Physical / Nanoscience $\&$ Nanotechnology /
Materials Science, Multidisciplinary / Physics, Atomic,
Molecular $\&$ Chemical},
typ = {PUB:(DE-HGF)16},
UT = {WOS:000304297500015},
doi = {10.1080/1536383X.2012.655190},
url = {https://juser.fz-juelich.de/record/21148},
}