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The Lifshitz theory of the van der Waals force is extended for the case of an atom (molecule) interacting with a plane surface of an uniaxial crystal or with a long solid cylinder or cylindrical shell made of isotropic material or uniaxial…

Quantum Physics · Physics 2009-11-11 E. V. Blagov , G. L. Klimchitskaya , V. M. Mostepanenko

The van der Waals and Casimir interactions of a hydrogen atom (molecule) with a single-walled and a multiwalled carbon nanotubes are compared. It is shown that the macroscopic concept of graphite dielectric permittivity is already…

Statistical Mechanics · Physics 2009-11-13 G. L. Klimchitskaya , E. V. Blagov , V. M. Mostepanenko

We calculate the interaction energy and force between atoms and molecules and single-walled carbon nanotubes described by the Dirac model of graphene. For this purpose the Lifshitz-type formulas adapted for the case of cylindrical geometry…

Materials Science · Physics 2015-05-30 Yu. V. Churkin , G. L. Klimchitskaya , A. B. Fedortsov , V. A. Yurova

The analytical expressions for the van der Waals potential energy and force between two crossed carbon nanotubes are presented. The Lennard-Jones potential for two carbon atoms and the method of the smeared out approximation suggested by…

Materials Science · Physics 2008-11-04 Alexander I. Zhbanov , Evgeny G. Pogorelov , Yia-Chung Chang

Lifshitz-type formulas are obtained for the van der Waals and Casimir interaction between graphene and a material plate, graphene and an atom or a molecule, and between a single-wall carbon nanotube and a plate. The reflection properties of…

Other Condensed Matter · Physics 2009-11-11 M. Bordag , B. Geyer , G. L. Klimchitskaya , V. M. Mostepanenko

We report very simple and accurate algebraic expressions for the van der Waals (vdW) potentials and the forces between two parallel and crossed carbon nanotubes. The Lennard-Jones potential for two carbon atoms and the method of the smeared…

Materials Science · Physics 2008-12-17 Evgeny G. Pogorelov , Alexander I. Zhbanov , Yia-Chung Chang

The van der Walls interaction between a carbon nanotubes sheet (CNTS) and a rare gas atom, is studied using both atomistic and continuum approaches. We present analytical expressions for the van der Waals energy of continuous nanotubes…

Mesoscale and Nanoscale Physics · Physics 2015-05-28 S. Motahari , F. Shayeganfar , M. Neek-Amal

For sparse materials like graphitic systems and carbon nanotubes the standard density functional theory (DFT) faces significant problems because it cannot accurately describe the van der Waals interactions that are essential to the…

Materials Science · Physics 2009-11-10 Elsebeth Schroder , Per Hyldgaard

We study the behaviour of the non-retarded van der Waals force between a planar substrate and a single-walled carbon nanotube, assuming that the system is immersed in a liquid medium which exerts hydrostatic pressure on the tube's surface,…

Mesoscale and Nanoscale Physics · Physics 2020-08-26 Galin Valchev , Peter Djondjorov , Vassil Vassilev , Daniel Dantchev

One-dimensional (1D) van der Waals heterostructures based on carbon nanotube templates are raising a lot of excitement due to the possibility of creating new optical and electronic properties, by either confining molecules inside their…

Materials Science · Physics 2021-07-22 Sofie Cambré , Ming Liu , Dmitry Levshov , Keigo Otsuka , Shigeo Maruyama , Rong Xiang

We study the mutual interactions of simple, parallel polymers and nanotubes, and develop a scheme to include the van der Waals interactions in the framework of density functional theory (DFT) for these molecules at intermediate to…

Soft Condensed Matter · Physics 2007-05-23 Jesper Kleis , Per Hyldgaard , Elsebeth Schroder

Using a unified macroscopic QED formalism, we derive an integral equation for the van der Waals energy of a two-level atomic system near a carbon nanotube. The equation is valid for both strong and weak atom-vacuum-field coupling. By…

Mesoscale and Nanoscale Physics · Physics 2015-06-24 Igor Bondarev , Philippe Lambin

The dispersive interaction between nanotubes is investigated through ab initio theory calculations and in an analytical approximation. A van der Waals density functional (vdW-DF) [Phys. Rev. Lett. 92, 246401 (2004)] is used to determine and…

Materials Science · Physics 2009-11-13 Jesper Kleis , Elsebeth Schroder , Per Hyldgaard

Recently the Lifshitz theory of dispersion forces was extended for the case of an atom (molecule) interacting with a plane surface of a uniaxial crystal or with a long solid cylinder or cylindrical shell made of isotropic material or…

Quantum Physics · Physics 2009-11-13 G. L. Klimchitskaya , E. V. Blagov , V. M. Mostepanenko

We studied the van der Waals interactions of two finite, solid, cylindrical rods at arbitrary angle and position with respect to each other. An analytic interpolative formula for the interaction potential energy is constructed, based on…

Soft Condensed Matter · Physics 2018-10-03 Jack A. Logan , Alexei V. Tkachenko

The 1%-accurate calculations of the van der Waals interaction between an atom and a cavity wall are performed in the separation region from 3 nm to 150 nm. The cases of metastable He${}^{\ast}$ and Na atoms near the metal, semiconductor or…

Quantum Physics · Physics 2009-11-11 A. O. Caride , G. L. Klimchitskaya , V. M. Mostepanenko , S. I. Zanette

We calculate the van der Waals energy of a C60 molecule when it is encapsulated in a single-walled carbon nanotube with discrete atomistic structure. orientational degrees of freedom and longitudinal displacements of the molecule are taken…

Materials Science · Physics 2012-08-17 B. Verberck , K. H. Michel

The thermal free energy and pressure of dispersion interaction between two graphene sheets described by the Dirac model are calculated using the Lifshitz formula with reflection coefficients expressed via the polarization tensor. The…

Mesoscale and Nanoscale Physics · Physics 2013-02-28 G. L. Klimchitskaya , V. M. Mostepanenko

The Casimir-Polder and van der Waals interactions between an atom and a flat cavity wall are investigated under the influence of real conditions including the dynamic polarizability of the atom, actual conductivity of the wall material and…

Quantum Physics · Physics 2009-03-27 V. M. Mostepanenko , J. F. Babb , A. O. Caride , G. L. Klimchitskaya , S. I. Zanette

Interwall interaction energies of double-walled nanotubes (DWNTs) with long inner and short outer walls are calculated as functions of coordinates describing relative rotation and displacement of the walls using van der Waals corrected…

Mesoscale and Nanoscale Physics · Physics 2015-06-15 Andrey M. Popov , Irina V. Lebedeva , Andrey A. Knizhnik , Yurii E. Lozovik , Boris V. Potapkin
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