TITLE

Molecular Dynamics Study of Orientational Melting and Thermodynamic Properties of C[sub 60]@C[sub 240] Nanoparticles

AUTHOR(S)
Lozovik, Yu. E.; Popov, A. M.
PUB. DATE
January 2002
SOURCE
Physics of the Solid State;Jan2002, Vol. 44 Issue 1, p186
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The barriers to relative shell rotation and other energy characteristics of C[sub 60]@C[sub 240] two-shell carbon nanoparticles ("onions") with outer shells of different shapes are calculated. The disturbance of the orientational order in the mutual arrangement of shells with an increase in temperature (orientational melting) is studied by the molecular dynamics method. The intershell orientational diffusion is represented by the Arrhenius relationship, and the Arrhenius parameters are calculated numerically. A definition is proposed for the temperature of short-range order disturbance in systems that undergo melting without structural change. The calculated temperature of orientational melting of the C[sub 60]@C[sub 240] nanoparticle is approximately equal to 60 K.
ACCESSION #
7293168

 

Related Articles

  • Stoichiometric and ultra-stable nanoparticles of II-VI compound semiconductors. Kasuya, A.; Noda, Y.; Dmitruk, I.; Romanyuk, V.; Barnakov, Y.; Tohji, K.; Kumar, V.; Belosludov, R.; Kawazoe, Y.; Ohuchi, N. // European Physical Journal D -- Atoms, Molecules, Clusters & Opti;Jul2005, Vol. 34 Issue 1-3, p39 

    Nanoparticles of (CdSe)n are found extremely stable at n = 33 and 34 with structures distinctively different from the bulk fragments. They grow exclusively in large amount with a simple solution method. The diameter is determined as 1.5 nm. Such ultra-stable nanoparticles had been predicted both...

  • Symmetric Hubbard systems with superconducting magnetic response. Callegari, A.; Cini, M.; Perfetto, E.; Stefanucci, G. // European Physical Journal B -- Condensed Matter;Aug2003, Vol. 34 Issue 4, p455 

    In purely repulsive, C4v-symmetric Hubbard clusters a correlation effect produces an effective two-body attraction and pairing; the key ingredient is the availability of W=0 pairs, that is, two-body solutions of appropriate symmetry. We study the tunneling of bound pairs in rings of 5-site units...

  • Influence of the inhomogeneity of local magnetic parameters on the curves of magnetization in an ensemble of Fe3C ferromagnetic nanoparticles encapsulated in carbon nanotubes. Komogortsev, S. V.; Iskhakov, R. S.; Balaev, A. D.; Okotrub, A. V.; Kudashov, A. G.; Momot, N. A.; Smirnov, S. I. // Physics of the Solid State;Nov2009, Vol. 51 Issue 11, p2286 

    Methods have been proposed and tested for analyzing local magnetic parameters in a system of single-domain ferromagnetic nanoparticles using their magnetization curves. The magnetic inhomogeneity in ensembles of Fe3C nanoparticles encapsulated in carbon nanotubes has been investigated. It has...

  • From the birth of a nanotube to dynamic devices.  // Nature Materials;Oct2005, Vol. 4 Issue 10, p719 

    Examines how the nanotube structures "self -assemble" from individual carbon atoms on the metallic nanoparticle catalysts. Attachment of partially formed diamond lattice to the metal particle; Diffusion of carbon atoms across the surface of the catalysts until they bond with other carbon atoms;...

  • Inhalation Toxicity and Lung Toxicokinetics of C60 Fullerene Nanoparticles and Microparticles. Gregory L. Baker; Amit Gupta; Mark L. Clark; Blandina R. Valenzuela; Lauren M. Staska; Sam J. Harbo; Judy T. Pierce; Jeffery A. Dill // Toxicological Sciences;Jan2008, Vol. 101 Issue 1, p122 

    While several recent reports have described the toxicity of water-soluble C60 fullerene nanoparticles, none have reported the toxicity resulting from the inhalation exposures to C60 fullerene nanoparticles or microparticles. To address this knowledge gap, we exposed male rats to C60 fullerene...

  • Real-world applications feed nanotech ventures. Overton, Gail // Laser Focus World;Aug2005, Vol. 41 Issue 8, p77 

    Focuses on the nanophotonic applications in medicine, computing and energy. Effort of scientists at Georgia Institute of Technology to bind nanoparticles; Medical applications of gold nanoshells; Effectivity of carbon nanotubes as conductor of electricity.

  • Platinum nanoparticles on carbon nanomaterials with graphene structure as hydrogenation catalysts. Kushch, S. D.; Kujunko, N. S.; Tarasov, B. P. // Russian Journal of General Chemistry;Apr2009, Vol. 79 Issue 4, p706 

    Carbon nanomaterials with graphene structure (single- and multiwall nanotubes and nanofibers) after oxidizing by a mixture of sulfuric and nitric acids and presumable introducing of carboxyl groups can be used as carrying agents of hydrogenation catalysts. Platinum in a concentration which...

  • Nanoparticles for dewetting suppression of thin polymer films used in chemical sensors. Melissa Holmes; Michael Mackay; Rachel Giunta // Journal of Nanoparticle Research;Oct2007, Vol. 9 Issue 5, p753 

    Abstract��Addition of fullerenes (C60 or buckyballs) to a linear polymer has been found to eliminate dewetting when a thin (~50�nm) film is exposed to solvent vapor. Based on neutron reflectivity measurements, it is found that the fullerenes form a coherent layer approximately...

  • Toxicological effects of multi-wall carbon nanotubes in rats. Aihong Liu; Kangning Sun; Dongmei Zhao // Journal of Nanoparticle Research;Dec2008, Vol. 10 Issue 8, p1303 

    Abstract��The aim of this study was to evaluate the lung toxicity of multi-wall carbon nanotubes (MWCNTs). The present work exposed MWCNTs into the rats in intratracheal instillation administration modes. We systematically studied the distribution of nanoparticles in vivo, target...

Share

Read the Article

Courtesy of AIRBUS FRANCE S.A.S.

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics