The processes of the propagation of quantum and classical charged particles through porous films are studied. The propagation of quantum particles is analyzed by numerically calculating the Schrödinger equation. The polarization force acting on the charge is calculated within the framework of classical electrodynamics. The possibility of pore formation in the films is analyzed in the problem of the propagation of ions with large charges through ultrathin carbon films. Mathematical modeling of the film accompanied by elucidation of the most important polarization properties is carried out to understand the process more clearly. The calculations show the possibility of film perforation because of the action of ponderomotive forces generated by the strong polarization field of the wave packet of the passing ion.

The exact potentials of the interaction of channeled hydrogen atoms with non-chiral carbon nanotubes of $$\left( {n,0} \right)$$ and $$\left( {n,n} \right)$$ types are calculated using the Lennard-Jones potential. After expansion in a two-dimensional Fourier series of one-dimensional reciprocal lattice vectors and azimuthal harmonics, these potentials are used to analyze the motion of atoms in the channel. Numerical solution of the Schrödinger equation with the averaged electrostatic interaction potential for a $$\left( {10,10} \right)$$ nanotube ensures discrete transverse energy levels and corresponding wave functions. The evolution of the spatial distribution of channeled hydrogen atoms moving in the longitudinal direction under the influence of the periodic perturbing interaction potential as a function of the longitudinal velocity is studied by means of fundamental solution of the kinetic equation. The ability to induce the focusing effect at the center of a nanotube for moving hydrogen atoms is shown as well.

A model describing the random smooth bending of carbon nanotubes within the theory of random processes is proposed. The degree of influence of random deviations of the nanotube axis from a straight line on particle channeling is studied for a definite choice of the specific form of random processes.

The energy characteristics of a homogeneous particle flux channeled inside single-wall carbon nanotubes (SWNTs) of three types (10, 10), (10, 0), and (11, 9) are considered in this paper. The energy losses of atoms during channeling in SWNTs with different geometries are determined. Histograms of the velocity distribution of atoms in all considered cases are constructed. The effect of tube deformation arisen after longterm channeling of the atom flux is revealed during the computer experiment. All calculations are carried out by means of the method of molecular dynamics using the LAMMPS package and the ReaxFF many-particle potential.

The focusing of atomic and molecular particles near the nanotube axis using a model of a carbon nanotube (CNT) with discrete arrangement of atoms in its wall is studied. The degree of focusing of channeling particles in CNTs depends not only on the diameter of the CNTs, but also on its chirality. It is shown that the concentration of channeling particles in the tube's central part is higher for chiral nanotubes.

The phenomena occurring during atom channeling in a carbon nanotube have been considered. The applicability of first-order perturbation theory has been analyzed.

С помощью модели углеродной нанотрубки с дискретным расположением атомов стенки исследуется фокусировка частиц вблизи оси нанотрубки. Степень фокусировки каналирующих частиц в углеродной нанотрубке зависит не только от ее диаметра, но и от хиральности. Показано, что концентрация каналирующих частиц в центральной части выше для нанотрубок с промежуточной хиральностью.

The ion distributions of vibration and rotation energies, as well as of the degree of torsion at the nanotube outlet, have been calculated via mathematical simulation of molecular hydrogen ion channeling in a carbon nanotube. The observed resonance effects have been analyzed. It is found that the probability of ion detection increases near the axis of a chiral carbon nanotube.

Channeling of atomic particles in carbon nanotubes was studied by molecular dynamics methods. It was shown that the elastic energy loss of sufficiently heavy incident particles due to carbon atoms becomes significant at low energies and angles close to the critical channeling ones.

Chuvash State Pedagogical University. Chuvashia, Russia, Cheboksary, Karl Marx Street, 38, tel.: (8352) 62-03-24, E-mail: arinia@mail.ru, www.mymail@mail.ru, 1 Chuvash State University. Them I. Ulyanov, Russia, 428000, Cheboksary, Moskovsky Prospect, 15, tel.: (8352) 49-83-86, E-mail: alex0v0a@yandex.ru, kansas57@rambler.ru, 2 Cheboksary Polytechnic Institute (branch) of the state educational institution of higher education «Moscow State Open University», Cheboksary, Karl Marx Street, 54 Tel.: (8352) 63-21-62, E-mail: filippov38_gm@yandex.ru

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.

AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.

New difluorophors have been synthesized containing both 2-phenyl-4-benzyliden-5-oxazolone and 1,3,5-tri-aryl-2-pyrazoline fragments. A study was carried out on the effect of the structure of these compounds on their spectroluminescence properties in solvents of different polarity. Positive solvatofl uorochromy was detected. The use of these compounds as luminescent dyes for polymers was proposed taking account of their solvatofuorochromic effects.