Center of Excellence for Innovative Technologies
and NanoEngineering (CE ITNE)

National Budget/Nanocomposite (from the Ministry of Education and Science of Ukraine)


Modeling and creation of a new class of crystalline nanocomposites with controlled crystallization and their research in the optical and sub-terahertz wavebands.

Project content

Task of project:

The structure modeling and directed crystallization technology creation of solid materials in mesopores of nanoporous matrices are aimed at solving an important scientific and technical problem of materials science and nanophysics. In particular, manufacturing of a new class of crystalline nanocomposites with controlled crystallization in order to in order to increase the efficiency of their practical use as promising working elements of electro-, acoustic or nonlinear optical devices for infocommunication ones, including defensesystems, as well as optoelectronic sensitive elements of micro- and nanoelectronics.

Object and subject of research:

The object of study is nanoporous matrices with different geometry and pore structure, as well as anisotropic materials with different crystallization geometries in these mesopores. The subject of scientific and technical (experimental) development is modeling, refractive and induced properties of nanoporous matrices and crystal nanocomposites made on their basis with controlled crystallization.

The purpose and main objectives of the study:

The aim of the work is to model and create a new class of crystalline nanocomposites with controlled crystallization geometry and to perform experimental measurements of refractive and induced properties of fabricated nanostructures to assess the prospects of their practical use in a wide range of wavelengths. The main tasks of scientific work are: 1) to model and choose the structure and pore geometry of nanoporous matrices as the "host" of crystalline nanocomposites; 2) to modernize interferometric (based on Michelson and Mach-Zender interferometers) installations for refractive measurements in the optical and quasi-optical ranges; 3) to perform a set of experimental refractive measurements of selected nanoporous matrices in the visible and sub-terahertz wavebands; 4) to model and select the directions of crystallization (global anisotropy maxima) for the studied crystalline material (for example, the ADP groupcrystals) as a "guest" when creating a crystalline nanocomposite with controlled crystallization geometry; 5) to develop the technology of controlled growth of nanocrystallites in the pores of selected receiving matrices with the required geometry and structure of mesopores; 6) to evaluate the spatial anisotropy of refractive and induced optical properties of both the nanoporous structures and crystal nanocomposites based on them with controlled crystallization geometry and evaluate the prospects of their possible practical application in a wide range of wavelengths; 7) to evaluate the possibilities of practical use of manufactured laboratory prototypes of a new class of crystalline nanocomposites with controlled crystallization using ADP and KDP crystals as nanofillers as an example.

The main results

  1. At the first stage the analysis of literature sources and methods of research of nanoporous matrices was carried out. In addition, a plan was created to modernize the experimental installations. Also, a literature review was conducted of methods and software for modeling the geometry of structures of nanoporous materials. Algorithms and mathematical models of crystal structures formation were considered and a comparative analysis of crystal and nanoporous structure formation was performed. Based on the analyzed data, a mathematical model was designed and the structure of the nanoporous matrix of anodized alumina was implemented by software, in which the design and analysis is based on the input parameters of the structure and geometric dimensions of the pores. Based on the results of the evaluation, the installations were improved: a) for measuring the refractive indices in the visible wavelength range, b) for measuring the refractive indices in the sub-THz (millimeter) wave range, and c) modified the software part of the the automated experiment control process.
  2. At the second stage, a methodology for manufacturing a new class of crystalline nanocomposites with controlled crystallization was developed. To do this, a comparative analysis of existing technologies for growing nanocrystallites, the rate of their crystallization and compliance with appropriate growth conditions was performed. Based on these data, a set of rules and recommendations was formed that can be used to manufacture the appropriate crystalline nanocomposites based on selected nanoporous matrices. In addition, a set of crystalline materials for their growth in the pores of nanoporous matrices was proposed and the based on them possibilities for creating crystalline nanocomposites with controlled crystallization were evaluated. An algorithmic model for the analysis of interaction processes in nanoporous structures was also developed, which made it possible to derive the basic equations and calculate the effective refractive index of the designed crystalline nanocomposites.For this purpose, algorithms for the formation of regular microlevel cell models of the structure of composites based on the use of Bezier curves were described, and the corresponding numerical models and methods of their visualization were given. In addition, with the use of OpenCL parallel computing technology, the methodology of the existing software for 3D analysis of spatial anisotropy and finding the global maximum of induced optical effects was improved. As a result, the analysis rate for the selected material under the same specified conditions was reduced from 12 hours up to 20 minutes. Based on the results of X-ray diffraction analysis of the created nanocomposites and the results of studies of nonlinear optical properties of crystalline materials as fillers of nanoporous matrices and nanocomposites created on their basis, the presence of nanocrystallites in the pores of the studied Al2O3 nanomatrices was shown. The nonlinear optical effect in crystalline nanocomposites was studied on the basis of the second harmonic generationwith the help of the Maker band method, using picosecond pulses of laser radiation at a 1064 nm wavelength. The polarization-dependent effect of the second harmonic generation was observed mainly due to the anisotropy of the macroscopic structure of the KDP / Al2O3 nanocomposite. In addition, atomic force and conventional microscopy of the created nanocomposites was performed. According to the microscopy results,the surface morphology of the created nanostructures information was obtained. The surface quality of the samples is quite low and as a result high-quality polishing of the surface is required for further measurements, because the manufactured nanostructures are not suitable in this form for experimental measurements and development of devices for the optical wavelength range. Also the transmission spectra of the created crystalline nanostructures were measured. The analysis of the spectra shows that the transmission of pure Al2O3 nanostructures in the wavelength range of 0.3–3 ?m increases unexpectedly with decreasing nanopore diameter. In addition, the presence of crystallites in the nanopores leads to a significant increase in the transmission of the created structures Al2O3 + ADP and Al2O3 + KDP. The results of the refractive measurements in the visible range did not give the predicted result using the existing equipment, because the nanostructures are not sufficiently optically transparent and have significant scattering of laser radiation passing through them. In addition, experimental studies were performed in the sub-terahertz range (at a frequency of 33 GHz). In this range, the sensitivity of the devices does not allow to obtain a high-quality interference pattern and, accordingly, to determine the effective refractive index of nanocomposites.
  3. At the third stage, the optical properties of the structures were studied based on the grown nanocomposites. To do this, the transmission and reflection spectra of Al2O3 matrices with ADP nanocrystallites were taken with a Shimadzu UV-3600 spectrophotometer.Also, with the Carry 5000 spectrophotometer the transmission spectra with diffuse scattering and diffuse scattering spectra were taken. From the above experimental studies it follows that the transmission and scattering of samples of Al2O3 matrices with ADP crystals in nanopores and without them largely depend on the properties of Al2O3 matrices and their manufacturing technology. However, analyzing the experimental results, the possibility of using the obtained structures with ADP nanocrystallites as filters for the corresponding frequency range, in particular for 0.8-2.6 ?m can be considered.

Originality and innovative aspects

According to the project materials the oral and poster presentations were made at international conferences:


Within the project the scientific and technical papers were published:

  1. N. Andrushchak, I. Karbovnyk, R. Lys, “LabVIEW-based Automated Refractive Index Measurements of Optical Materials Using Red Laser, Measurement Science and Technology, 2018.
  2. N. Andrushchak, B. Kulyk, P. Goring, A. Andrushchak, B. Sahraoui, “Study of Second Harmonic Generation in KDP/Al2O3 Crystalline Nanocomposite,” Acta Physica Polonica A, vol. 133, pp. 856-859, 2018
  3. A. Andrushchak, O. Buryy, N. Andrushchak, Z. Hotra, O. Sushynskyi, G. Singh, V. Janyani, I. Kityk, "General method of extreme surfaces for geometry optimization of the linear electro-optic effect on an example of LiNbO3:MgO crystals," Appl. Opt., vol. 56, Issue. 22, pp. 6255-6262, 2017.
  4. N. Andrushchak, N. Jaworski, M. Lobur, “Improvement of the Numerical Method for Effective Refractive Index Calculation of Porous Composite Materials Using Microlevel Models,” Acta Physica Polonica A, vol. 133, pp. 164-166, 2017.
  5. O. Buryy, N. Andrushchak, A. Ratych, N. Demyanyshyn, B. Mytsyk, and A. Andrushchak, "Global maxima for the acousto-optic effect in SrB4O7 crystals," Appl. Opt., vol. 56, pp.1839-1845, 2017.