Formation of cluster systems in condensed matters and IR spectra of liquids

Melnikov, G. A.; Ignatenko, N. M.; Krasnych, P; Melnikov, V. G.; Cherkasov, É. N.

doi:10.1088/1757-899x/110/1/012064

Cited by 3 publications

(5 citation statements)

References 14 publications

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“…To account for the interaction of Z particles in the cluster need to introduce some effective potential of interaction ( ) eff r ϕ with the depth of the potential well ( ) eff r ϕ and the effective diameter of the particle eff s . Representing a depth of the potential well in the effective interaction potential relation [13] Key Engineering Materials Vol. 781 139…”

Section: Methodsmentioning

confidence: 99%

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The Packing Coefficient of Particles in Structure Cluster Systems

Melnikov

Emelyanov

Ignatenko

et al. 2018

KEM

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Within the framework of the cluster model, a relation is obtained for calculating the effective diameter of particles and the atomic packing coefficient in the cluster structure, which makes it possible to trace the dependence of the effective particle diameter on the temperature and the quantitative composition of the cluster system. The results of calculating the diameter of particles in a cluster model and classical models of hard and soft spheres are compared. The greatest discrepancy between the predicted particle diameters and the packing coefficients in the cluster structure within the framework of various models is observed near the melting point of the substance, where the difference can reach 16%.

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Section: Methodsmentioning

confidence: 99%

“…where ε ∆ is the correction to the depth of the potential well of the pair interaction potential due to the influence of the cluster particles on the energy of the pair interaction, the authors of [13] obtained a Equation for calculating this quantity…”

Section: Methodsmentioning

confidence: 99%

The Packing Coefficient of Particles in Structure Cluster Systems

Melnikov

Emelyanov

Ignatenko

et al. 2018

KEM

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“…Предполагается, что возникновение спектральных полос в спектрах низкочастотной области в рамках кластерной модели обусловлено либрационными колебаниями димерных образований в структуре кластеров, причем чем больше частиц в составе кластера, тем выше частота либрационных колебаний димеров [16]. При описании комбинационного рассеяния света авторы [17] исходили из полученного соотношения для наведенного дипольного момента димерного образования в структуре кластера…”

Section: результаты и их обсуждениеunclassified

Study of Raman Scattering of Light in Liquid Arenes and Their Halogen-Substituted ones in the Low-Frequency Region of the Spectrum

Melnikov,

Ignatenko,

Petrova

et al. 2024

jour

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Purpose. Investigation of Raman scattering of light in liquid arenas and their halogenated ones in the low-frequency range of the spectrum, taking into account the clustering processes in their structure.Methods. Raman spectroscopy methods were used, as well as a modeling method using cluster representations of the structure of liquids. Raman spectra of light in the low-frequency range from 17 to 500 cm–1 were obtained using a LabRAM HR Evolution spectrometer at room temperature (23°C).Results. The analysis of theoretical and experimental work on the properties of dimeric configurations of benzene and on the effect of clustering processes in substances on their IR and Raman spectra is carried out. Low-frequency Raman spectra of liquid benzene, o-xylene, ethylbenzene, fluorobenzene, chlorobenzene, brombenzene, toluene, o-fluorotoluene, m-fluorotoluene, p-fluorotoluene, o-chlorotoluene, m-chlorotoluene, p-chlorotoluene, 2,4-dichlorotoluene, 2,6-dichlorotoluene were obtained. The model of formation and disintegration of cluster formations has been tested. Formulas have been obtained for estimating the minimum frequency of libration oscillations of the ωmin dimer formation in the cluster structure and the position of the maxima of spectral bands in the low-frequency region of the Raman spectrum, depending on the number of particles included in the cluster formations. The theoretical results obtained by ωmin are in satisfactory agreement with the experimental data within the total error.The proposed model makes it possible to predict the position of some spectral bands of the Raman spectrum. The presence of other spectral bands is obviously related to the multiparticle interaction in the cluster structure and requires additional research.Conclusion. The proposed model of formation and decay of cluster formations and the relations following from it allow us to estimate the value of the minimum frequency in the low-frequency range of the Raman spectrum of liquid arenes and their halogenated ones from the known values of the enthalpy of formation and the moment of inertia of the dimer. Conversely, using known values of the minimum frequency, the values of the enthalpy of formation and the moment of inertia of the dimer can be estimated without resorting to complex quantum mechanical calculations.

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“…One-dimensional model of a quasicrystal and numerical Fibonacci sequences associated with Golden Section and is used to build a new type of optical elements: aperiodic diffraction gratings and multilayer structures [8][9][10][11][12].…”

Section: Introductionmentioning

confidence: 99%

“…Radii of coordination spheres are represented by the ratio for the system of successive coordination spheres of spherical particles [11][12][13][14]…”

Section: Introductionmentioning

confidence: 99%

Peculiarities of quasicrystalline films formation processes on crystal surface under irradiation with proton-ion flows

et al. 2021

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Quasicrystalline film with densest package of atoms can be formed on a crystal surface under irradiating crystal surface with protonion flows at a certain ratio of atoms diameters of irradiated crystal and the ions of irradiating flow. Atom-free area of 1 Å order is formed. These are traps for protons from the irradiation stream, thus a quantum dot appears. Atomic package of quasicrystalline film is a package of equilateral Penrose rhombs and there are centers of atoms mass at the vertices. A mathematical relation is obtained that allows predicting radii of irradiation flux ions to form quasicrystalline film and select atomic composition of the obtained film with predetermined properties. Nanostructuring of materials is an entire family of physicochemical processes associated with proton transfer and their localization in crystal lattice and these include ion exchange, diffusion, and ion implantation. Ion and proton exchange can be considered an established universal method of surface modification technology [24– 26]. The case of implantation of protons into the structure of cluster systems formed on the surface of crystals is described in this paper. In this case, a quantum dot is formed in the cluster structure, which is a potential hole with quantized proton motion, wherein the radiation of quantum dot is in IR area of electromagnetic spectrum.

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Formation of cluster systems in condensed matters and IR spectra of liquids

Cited by 3 publications

References 14 publications

The Packing Coefficient of Particles in Structure Cluster Systems

The Packing Coefficient of Particles in Structure Cluster Systems

Study of Raman Scattering of Light in Liquid Arenes and Their Halogen-Substituted ones in the Low-Frequency Region of the Spectrum

Peculiarities of quasicrystalline films formation processes on crystal surface under irradiation with proton-ion flows

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