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1
Content available remote Stability of Finite-size Argon Thin Film Coating Single Wall Carbon Nanotube
Kośmider M., Dendzik Z., Żurek S., Górny K.
TASK Quarterly : scientific bulletin of Academic Computer Centre in Gdansk
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2009
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Vol. 13, No 3
187-197
EN
The structure and the dynamics of the argon thin film coating (15,4) and (12,12) carbon nanotubes have been studied in a series of molecular dynamic simulations. In the studied temperature regime, the argon atoms in the thin film were well localized. Structural changes and diffusion process inside the argon layers were not been observed. The influence of the chirality and the radius of the nanotube to the cluster properties is also reported.
2
Content available remote Elastic constants and analytic bond order potential for atomistic simulations of simple cubic tungsten trioxide
Dendzik Z., Chrobak D., Nowak R.
TASK Quarterly : scientific bulletin of Academic Computer Centre in Gdansk
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2009
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Vol. 13, No 1-2
93-98
EN
A set of elastic constants was calculated and a parametrization of the potential was derived for simple cubic tungsten trioxide based on an analytical bond-order scheme. It was show that the obtained parametrization provided a good description of interatomic forces and such properties as the lattice constant, the bulk modulus and the elastic constants.
3
Content available remote Structural and dynamic properties of water confined inside a single-walled carbon nanotube - Molecular dynamics study
Kosmider M., Sokol M., Dendzik Z., Gburski Z.
Materials Science Poland
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2005
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Vol. 23, No. 2
475--481
EN
Atomically detailed molecular dynamics simulation has been performed to study structural and dynamical properties of the cluster of water molecules (H2O)(80) confined inside an open-ended single-walled (10,10) carbon nanotube (SWNT). The structural and dynamical properties of the confined cluster have been compared with the analogous results for an unconfined cluster of water molecules.
4
Content available remote Interaction-induced depolarized light scattering spectra of exohedral complexes of Ne and Ar with fullerenes and nanotubes
Dendzik Z., Kosmider M., Dawid A., Kaczor K., Gburski Z.
Materials Science Poland
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2005
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Vol. 23, No. 2
457--466
EN
Recently, Dawid and Gburski (Phys. Rev. A, 68 ( 2003), 065202) have studied the molecular dynamics of a system consisting of a C-60 molecule surrounded by a monolayer argon film and determined the interaction induced polarizability correlation function and the depolarized light scattering spectra of this system. In the present work a number of exohedral complexes of Ar and Ne forming an ultrathin monolayer film physisorbed on a fullerene or nanotube surface have been studied.
5
Content available remote Dynamics of the exohedral complex composed of Ar atomic film adsorbed on the surface of single-walled carbon nanotube. Computer simulation study
Dendzik Z., Kosmider M., Palucha S., Brol P., Gburski Z.
Materials Science Poland
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2005
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Vol. 23, No. 2
467--473
EN
A molecular dynamics study of the monolayer Ar atomic film adsorbed on the outer surface of single - walled (10,10) carbon nanotube has been undertaken and the vibrational spectra of this system have been determined. It was found that vibrations of the atoms in the argon film considerably influence the low - frequency vibrational dynamics of the nanotube.
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