Computational nanotechnology

Quarterly peer-review journal.

 

About

“Computational nanotechnology” journal publishes peer-reviewed scientific research works on mathematical modeling of processes while creating nanostructured materials and devices. The development of nanoelectronics devices, nanoprocesses needs to involve quantum computing allowing prediction of the structure of matter.Work on nanoprocesses requires the development of quantum computers with a fundamentally new architecture.

 

The journal publishes peer-reviewed scientific articles on the following scientific specialties:

  • Computer Science
    • Artificial intelligence and machine learning
    • Mathematical modeling, numerical methods and complex programs
    • Theoretical informatics, cybernetics
    • Cybersecurity
  • Information Technology and Telecommunication
    • System analysis, management and information processing
    • Elements of Computing Systems
    • Automation of manufacturing and technological processes
    • Management in organizational  systems
    • Mathematical and software of computеrs,  complexes and computer networks
    • Information security
    • Computer modeling and design automation systems
    • Informatics and Information Processing
  • Nanotechnology and nanomaterials

 


Indexing

  • Russian Science Citation Index (RSCI)
  • East View Information Services
  • Ulrichsweb Global Periodicals Directory
  • Google Scholar
  • Dimensions
  • CrossRef
  • MathNet

VAK of Russia

In accordance with the decision of the Presidium of the Higher Attestation Commission of the Ministry of Education and Science of Russia dated 29.05.2017, the journal «Computational Nanotechnology» is included in the List of leading peer‐reviewed scientific journals and publications in which the main scientific results of dissertations for the degree of candidate and doctor of sciences should be published.

Subject heading list

  • Atomistic Simulations - Algorithms and Methods
  • Quantum and Molecular Computing, and Quantum Simulations
  • Bioinformatics, nanomedicine and the creation of new drugs and their delivery to the necessary areas of neurons
  • Development of the architecture of quantum computers based on new principles, creating new quantum programming
  • Development of new energy units based on renewable kinds of energy
  • Problems of synthesis of nanostructured materials to create new ultra-compact schemes for supercomputers
  • Peculiarities of the development of devices based on nanostructured materials
  • Development of functional nanomaterials based on nanoparticles and polymer nanostructures
  • Multiscale modeling for information control and processing
  • Information systems of development of functional nanomaterials

 


Current Issue

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Vol 11, No 1 (2024)

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MATHEMATICAL MODELING, NUMERICAL METHODS AND COMPLEX PROGRAMS

Research and Development of Algorithms and Methods for Constructing Three-dimensional Computer Models of Real Objects
Mikhaiylova S.S.
Abstract

The article describes a technique for constructing a 3D model of an object based on the resulting images of an object using the Python programming language. As part of the study, an overview of existing solutions and an analysis of the use of algorithms for constructing three-dimensional models were performed. As a result of the work done, software was created that allows you to create a three-dimensional model based on several presented images. The scope of this work is the analysis of an object using a three-dimensional model, as well as the use of three-dimensional terrain models.

Computational nanotechnology. 2024;11(1):13-24
pages 13-24 views
Analysis of Performance and Features of the Functioning of Microfrontends
Yudin A.V., Makievskiy S.E., Adyshkin S.S., Grosheva P.Y.
Abstract

Microfrontends represent a trend in the development of the visible part of a web application (frontend), which consists in breaking a monolithic application into separate, semantically independent blocks, developed independently of each other. Each component of a web page or application operates according to specially designed logic, and each of them can be developed, tested and deployed as a standalone application. The main goal of this approach is to facilitate the support and development of large applications that are worked on by different teams. Dividing large projects (“monoliths”) into smaller components has become a traditional approach to reducing the complexity of developing and maintaining software systems. The article examines the features of microfrontends, presents the results of an analysis of the performance of the most popular frameworks for creating microfrontends, and also identifies the features of the microfrontend development team.

Computational nanotechnology. 2024;11(1):25-35
pages 25-35 views
Development of a Visual Odometry Model Based on Sensors and Video Stream Analysis
Danilova S.D.
Abstract

The article is devoted to the development of a visual odometry model based on sensors of an inertial measuring device and the analysis of a video stream arriving in real time. Modeling is based on the analysis and evaluation of methods for measuring the correct coordinates of a moving object, systems for estimating the movement of an object in three-dimensional space, algorithms at intermediate stages of image processing, principles for selecting special points on the frame and optical flow for selected points.

Computational nanotechnology. 2024;11(1):36-47
pages 36-47 views
Mathematical Model of Economic Information
Shamin R.V., Grosheva P.Y., Golovanov S.O.
Abstract

This article shows that economic information can be formally described using an information field, which is a topological space with an introduced system of subsets that is closed with respect to the union operation. This system of subsets consists of information quanta – sets of information that can be used by a subject when making economic decisions. On this information field, a set function is introduced, defined on information quanta, which has the meaning of the economic value of the information quanta when the subject solves an economic problem. Many economic problems can be described by optimization problems, when a subject need to make a certain choice from a set of feasible solutions, and by game-theoretic models, when it is necessary to choose the best strategy in the face of opposition from other subjects. For these models, it is shown how a function can be constructed to evaluate the economic usefulness of information quanta.

Computational nanotechnology. 2024;11(1):48-56
pages 48-56 views
Modeling the Processes of Interaction Between Team Members During the Implementation of Complex Software Products
Kornienko D.V., Breev A.A.
Abstract

In the context of intensive development of information technology and increasing complexity of software products, the importance of effective interaction between members of work teams when implementing complex software solutions, such as enterprise automation systems based on the 1C platform, is increasing. This article is devoted to the study and modeling of interaction processes between members of project teams aimed at increasing the effectiveness of their joint activities during the implementation of projects for the implementation of corporate information systems. As part of the study, existing approaches and methods for organizing teamwork, as well as software systems that provide monitoring and management of collaboration of specialists, were analyzed. Particular attention is paid to considering the specifics of interaction when implementing 1C systems, characterized by a high degree of adaptability and variability depending on the characteristics of a particular enterprise. Research materials and methods include studying scientific literature on the issues of managing project teams, analyzing statistical data on the results of implementing corporate information systems in various sectors of the economy, as well as conducting interviews with managers and participants in 1C implementation projects at medium and large businesses. As part of this study, methods for modeling the work of a project team were studied. In the process of work, the analysis of her activities (business and interpersonal) was taken into account. In the course of the work, the conflict phase of team development was identified, and a model of effective motivation was created. For this purpose, game theory tools were used. As a result of the study, key factors were identified that influence the effectiveness of interaction between project team members, among which are a clear distribution of roles and responsibilities, well-established communications, and the use of modern collaboration and task management tools. Based on the data obtained, the authors proposed a conceptual model for organizing effective interaction between participants in 1C implementation projects, taking into account the specifics of this subject area and aimed at minimizing risks and improving the quality of the results of project activities.

Computational nanotechnology. 2024;11(1):57-67
pages 57-67 views

SYSTEM ANALYSIS, INFORMATION MANAGEMENT AND PROCESSING, STATISTICS

The Effectiveness of the A2C Algorithm in Relation to Classical Models of the Theory of Economic Growth
Moiseenko A.M., Grineva N.V.
Abstract

The relevance of the study is to identify the accuracy of the estimate obtained by the A2C algorithm, as well as the need for verification of reinforcement learning when working with optimization of economic processes. The purpose of the study was to analyze the effectiveness of the A2C algorithm, along with the specifics of its implementation, in solving optimization economic problems. The tasks considered were maximizing consumption in the Solow, Romer and Schumpeterian models of endogenous economic growth, and maximizing per capita income in the latter two, according to the consumption rate (in the latter two – saving rate) and the share of scientists in the economy, respectively. The results showed that for deterministic models (Solow model, Romer model), the variance of the parameter estimate is minimal and the average differs from the value obtained analytically by no more than a thousandth part with a sufficiently high number of time periods in the model. Nevertheless, in stochastic models (the Schumpeterian model), firstly, a high number of time periods in the model is required to match the estimate to the value obtained analytically, and secondly, the estimate obtained in this way, although biased by no more than a thousandth of a fraction, has a high variance.

Computational nanotechnology. 2024;11(1):68-77
pages 68-77 views
Algebraic Models for Data and Knowledge Representation in Modern Database Management Systems
Kuchumov I.V.
Abstract

The article discusses algebraic data and knowledge representation models in modern database management systems. It is shown that despite the effectiveness of the relational model in storing large volumes of structured information, its capabilities are limited for expressing machine learning algorithms. In this regard, new approaches are proposed based on advanced algebraic models that allow formalizing the architecture and operations of neural networks in SQL. Methods of hybridization of SQL and GPU computations, application of specialized operators, combining data processing and analysis stages are considered. The results confirm the high efficiency of the developed solutions for intelligent analytics.

Computational nanotechnology. 2024;11(1):78-84
pages 78-84 views
The Concept of Food Management Using RFID Technology: Minimizing Losses and Increasing Consumer Awareness
Medvedev A.V., Medvedev A.A., Shuchkov M.D.
Abstract

The study suggests the use of RFID technology to effectively manage food consumption, as well as reduce the volume of unused products. The system includes special readers for automatic receipt and transmission of information about products. Users can monitor the expiration date and receive information through the web application, which also sends notifications about the approaching expiration date, contributing to a more rational use of products.

Computational nanotechnology. 2024;11(1):85-93
pages 85-93 views
Visualization of Microservices-based Information System Architectures Using OpenTelemetry Data
Kornienko D.V., Nikulin A.V.
Abstract

Within the framework of the presented article, the relevance and necessity of solving the problem of visualizing the architecture of information systems based on microservices is substantiated. This task is especially significant both for the process of developing new systems and for optimizing the operation of existing ones. To provide comprehensive and balanced up-to-date information about the structure and interaction of microservices, an approach is required that is focused on automatically collecting and processing information about the relationships between microservices and their internal structure for the purpose of subsequent visualization of architectural diagrams. The authors found that specialized software trace logs provide sufficient information for visualizing the architecture. In their article, the authors took a closer look at tracing issues in the context of OpenTelemetry, an open-source project designed specifically for collecting telemetry data from software and then analyzing it. The authors proposed the C4 model as a means for visualizing architecture. The C4 model is a relatively new approach to modeling software systems, which involves the development and representation of context, containers, components, code and their relationships. The main task that the authors set for themselves is to automate the process of creating C4 model diagrams based on data received from OpenTelemetry. This approach will significantly simplify the process of understanding the structure and dynamics of interaction between microservices within the system. The key result of the research is the development of algorithms for collecting and converting trace data to create C4 diagrams, as well as the creation of appropriate software that implements these algorithms.

Computational nanotechnology. 2024;11(1):94-103
pages 94-103 views

MATHEMATICAL AND SOFTWARE OF COMPUTЕRS, COMPLEXES AND COMPUTER NETWORKS

Advanced Electron Microscopy Image Processing for Analyzing Amorphous Alloys: Electron Microscopy Image Cluster Analyzer (EMICA). Tool and Results
Sileshi D., Pustovalo E.V., Fedorets A.N.
Abstract

This article unveils EMICA, a Python-based software tool revolutionizing electron microscopy image processing for amorphous alloys. EMICA addresses the unique challenges posed by these materials, which lack long-range order, by providing specialized capabilities for cluster analysis and spatial pattern recognition. This research explored software tool development and application through illustrative examples, answering the key question of how they enhance amorphous alloy analysis. By integrating advanced image processing techniques and algorithms, EMICA uncovers hidden patterns, offering quantitative insights into cluster distributions. The key message emphasizes the application’s transformative impact on material science research, providing a specialized solution for electron microscopy image analysis in the amorphous alloy domain. Our key findings, presented through real-world examples and case studies, attest to the efficacy of the software in revealing nuanced details of amorphous alloy structures. From identifying subtle variations in atomic configurations to quantifying cluster distributions, EMICA represents a significant leap forward in the field of advanced electron microscopy image processing, contributing significantly to the advancement of this domain.

Computational nanotechnology. 2024;11(1):104-111
pages 104-111 views
Exploring Amorphous Alloys: Advanced Electron Microscopy and Cluster Analysis
Sileshi D., Pustovalov E.V., Fedorets A.N., Frolov A.M.
Abstract

In this study, we explored the atomic structure and orderliness of amorphous alloys through advanced electron microscopy and analytical techniques. Amorphous alloys, characterized by disordered atomic structures, exhibit promising applications in technology. The research addresses a crucial knowledge gap by investigating cluster distribution, particle arrangement, and orderliness within the amorphous matrix. High-resolution electron microscopy (HREM) images are analyzed using diverse algorithms and software tools. The study establishes a correlation between angles approaching 180 degrees and increased orderliness within clusters, highlighting the reliability of angle distribution analysis. Robust indicators, including Div (SP(B/V)) and Div (Mu(B/V)) metrics, assess and compare amorphous alloy samples. Kullback–Leibler (K-L) divergence indicates the significance of cluster ordering, validated by the S-K test. Radial Distribution Function (RDF) analysis uncovers local short-range order, deepening understanding despite limited orderliness discernment. These findings not only enhance our understanding of metallic glasses or amorphous alloys but also offer opportunities for tailored design and improved applications across various technological domains.

Computational nanotechnology. 2024;11(1):112-120
pages 112-120 views

COMPUTER MODELING AND DESIGN AUTOMATION SYSTEMS

Computer Simulation of Li and Be Wetting Layers on the Si (100) Surface
Zavodinsky V.G., Gorkusha O.A., Plusnin N.I.
Abstract

Within the framework of the of density functionality theory and the pseudopotential method, the atomic and electronic structure of the two-dimensional Li–Si and Be–Si systems forming on the Si (100) surface is calculated, with a metal thickness of one to three monolayers (ML). At the first ML, the formation of ordered silicide wetting layer of Li (with atoms embedded inside the top layer Si) and Be (with atoms embedded between the top two Si layers) was detected. At 2 ML, the systems are modified: Li atoms occupy positions between the top two Si layers, and Be atoms rise at positions above the top Si layer. After that, with a coating thickness of 3 ML, in the case of Li, a continuous disordered wetting layer is formed, and in the case of Be, a wetting layer in the form of disordered chains along the length. At 1 ML, an energy gap appears in the electronic structure of the studied systems in the density of electronic states near the Fermi level, the width of which is 1.02 eV and 0.36 eV, respectively, for Li-Si and Be-Si systems. Then the gap disappears, first for the lithium system (at 2 ML), and then, for the beryllium system (at 3 ML).

Computational nanotechnology. 2024;11(1):121-126
pages 121-126 views
An Overview of the Simulation Capabilities for Optimizing the Operation of the Seaport in the AnyLogic Environment
Shevchenko A.M., Dyda A.A.
Abstract

Globalization and containerization have significantly increased the volume of shipping in international trade. A seaport is a critical component in maritime transportation. Currently, the main focus for the effective functioning of commercial ports is focused on the use of the latest information technologies. Information support of the port operation is a difficult task for a variety of reasons, the main of which is the external influence on the internal operations of the port and its overall efficiency. Simulation modeling is the most suitable tool for analyzing such a complex interaction. The article defines the characteristic features describing the specifics of the seaport operation in the AnyLogic simulation program. Various possibilities of using the established simulation model are shown to determine the limitations in the size of the throughput and processing capacity of the seaport, substantiate the need to create a “dry” port and select its main parameters.

Computational nanotechnology. 2024;11(1):127-134
pages 127-134 views

ИСКУССТВЕННЫЙ ИНТЕЛЛЕКТ И МАШИННОЕ ОБУЧЕНИЕ

Neural Networks in the Task of Genre Classification of Musical Compositions
Belenkiy M.A., Grineva N.V.
Abstract

This study investigates the application of neural networks in the task of classifying audio signals into ten different genres. The peculiarities of processing audio signals in the digital environment are examined, along with the relationship between Fourier transformation and spectrograms, and the characteristics of audio signals. Neural network training was conducted using the GTZAN dataset, which contains 1000 compositions. Four comparable datasets were formed based on this dataset, and the performance of three neural network architectures – convolutional, recurrent, and multilayer perceptron – was evaluated on each of them. The practical significance of this work lies in the possibility of forming musical recommendations and organizing music. The goal of the study is to develop a classifier that could accurately determine the probability of a composition belonging to one of the ten genres.

Computational nanotechnology. 2024;11(1):135-150
pages 135-150 views
Non-iterative Calculation of Parameters of a Linear Classifier with a Threshold Activation Function
Ponimash Z.A., Potanin M.M.
Abstract

The relevance of artificial intelligence (AI) systems is growing every year. AI is being introduced into various fields of activity. One of the main technologies used in AI is artificial neural networks (hereinafter referred to as NN). With the help of neural networks, a huge class of problems is solved, such as classification, regression, autoregression, clustering, noise reduction, creating a vector representation of objects, and others. In this work, we consider the simplest case of operation of one neuron with the Heaviside activation function, we also consider fast ways to train it, and we reduce the learning problem to the problem of finding the normal vector to the separating hyperplane and the displacement weight. One of the promising areas for training NN is non-iterative training, especially in the context of processing and analyzing high-dimensional data. This article discusses a method of non-iterative learning, which allows you to greatly (by 1–2 orders of magnitude) speed up the training of one neuron. The peculiarity of the approach is to determine the hyperplane separating two classes of objects in the feature space, without the need for repeated recalculation of weights, which is typical for traditional iterative methods. Within the framework of the study, special attention is paid to cases when the main axes of the ellipsoids describing the classes are parallel. The function pln is defined to calculate the distances between objects and the centers of their classes, based on which the non-normalized normal vector to the hyperplane and the displacement weight are calculated. In addition, we provide a comparison of our method with support vector machines and logistic regression.

Computational nanotechnology. 2024;11(1):171-183
pages 171-183 views

INFORMATICS AND INFORMATION PROCESSING

Development of a Web Application for Intelligent Analysis of Customer Reviews Using a Modified seq2seq Model with an Attention Mechanism
Budaev E.S.
Abstract

Machine learning, and neural networks in particular, are having a huge impact on business and marketing by providing convenient tools for analytics and customer feedback. The article proposes an intelligent analysis of customer feedback based on the use of a modified seq2seq deep learning model. Since the basic seq2seq model has a significant disadvantage – the inability to concentrate on the main parts of the input sequence, the results of machine learning may give an inadequate assessment of customer feedback. This disadvantage is eliminated by means of a model proposed in the work called the “attention mechanism”. The model formed the basis for the development of a web application that solves the problem of flexible interaction with customers by parsing new reviews, analyzing them and generating a response to a review using a neural network.

Computational nanotechnology. 2024;11(1):151-161
pages 151-161 views
The Possibilities of Using Big Data Technologies in Solving Problems of Processing Data on Atmospheric Air Pollution
Bogomolov D.N., Plotnikov S.B.
Abstract

The main objective of the article is to substantiate the possibility of using Big Data technologies in the field of atmospheric air monitoring. In the form of a diagram, a model for processing big data obtained from measuring meteorological gas analysis stations using the PySpark library for further experimental studies is presented. The factors accompanying the use of Big Data in the field of atmospheric air monitoring are derived, and the performance of the Pandas and PySpark libraries is compared. The obtained results will allow us to further rely on the derived factors and use the most optimal data processing technologies to build predictive machine learning models in the field of analyzing the level of atmospheric air pollution. Consistent use of big data and machine learning methods will ensure clean and healthy air for future generations through more effective predictive analytics. This article is valuable for students and specialists in the field of information technology, in particular, in the field of data processing and machine learning.

Computational nanotechnology. 2024;11(1):162-170
pages 162-170 views

ELEMENTS OF COMPUTING SYSTEMS

Trends and Perspective Directions in the Development of Software Programming
Malygin D.S.
Abstract

Nowadays programming is an indispensable part of modern life. It is the foundation for the development and implementation of new technologies and solutions in various fields of human activity: personal to professional. Recently, there has been significant progress in the development of information technologies due to the constant scientific and technological advances around the world. The purpose of this paper is to analyze the current situation as well as trends in the development of software development. The work uses theoretical methods of research, such as analysis, synthesis and generalization. Because of this work, the author has identified the main trends and tendencies observed in the information technology industry. Based on the results obtained, the author makes conclusions about how the software development industry will develop and what technologies will have the greatest impact in the future. The scientific value of the current work consists in the formation and systematization of the most important trends and prospects of programming development. The materials of the work can be useful for modern software developers, architects and project managers in technology companies, allowing them to identify the most promising directions in the aspect of development of their competencies.

Computational nanotechnology. 2024;11(1):184-192
pages 184-192 views

NANOTECHNOLOGY AND NANOMATERIALS

Pulse Tunnel Effect: Fundamentals and Prospects for Application
Rakhimov R.K.
Abstract

In the first part of the article discusses fundamental aspects of the pulsed tunneling effect as a unified mechanism for describing tunneling phenomena in various fields of physics are considered. The main provisions of the pulsed tunneling theory developed by Keldysh are analyzed. The features of the effect’s implementation in optics, nanoelectronics, perovskites and other materials are examined. The role of coherent radiation is shown. The prospects of regulating material properties and observing non-standard phenomena due to PTE are discussed. In the second part of the article discusses examines the subtleties of the pulsed tunneling effect as a fundamental mechanism of interaction of radiation with matter. The advantages of the ITE compared to the standard quantum tunneling effect are analyzed. Particular attention is paid to the role of radiation coherence and unidirectional polarization during pulsed exposure. The features of the manifestation of effects in optics, nanotechnology and biology are considered. The prospects for using ITEs to create new functional materials and effective technologies are shown.

Computational nanotechnology. 2024;11(1):193-213
pages 193-213 views
New Approaches to the Synthesis of Functional Materials with Specified Properties under the Influence of Concentrated Radiation and Pulse Tunnel Effect
Rakhimov R.K., Yermakov V.P.
Abstract

This article explores the prospects of synthesizing materials with a complex of specified properties using the pulsed tunneling effect (PTE) and concentrated solar radiation. The mechanisms of formation of metastable phases and the emergence of unique electrical and magnetic properties due to numerous structural distortions are described. The concept of using such materials as “artificial dopants” is proposed. Promising application areas are considered, ranging from the creation of extremely strong materials to the achievement of non-standard superconducting and magnetic effects.

Computational nanotechnology. 2024;11(1):214-223
pages 214-223 views
Productive Methods for Increasing the Efficiency of Intermediate Reactions in the Synthesis of Functional Ceramics
Rakhimov R.K., Pankov V.V., Yermakov V.P., Makhnach L.V.
Abstract

This study focuses on investigating the potential of modified ceramic technology methods for producing composition materials with nano-level heterogeneity, approximating the properties of functional ceramics (FC) obtained through helio-technology. Three different powder synthesis methods were utilized: oxide method, ceramic technology, and sol-gel technology. X-ray diffraction and electron microscopy analyses were employed to compare the microstructure of powders obtained by these methods with samples synthesized using helio-technology. The results revealed that powders obtained through modified ceramic technology methods exhibited a more homogeneous structure and smaller particle size compared to those obtained through helio-technology. Nano-sized, metastable, and amorphous phases formed at the boundaries of such powders are considered responsible for the generation of pulsed infrared radiation. These findings have significant practical implications in various fields that require composition materials with controlled properties and the ability to generate pulsed infrared radiation.

Computational nanotechnology. 2024;11(1):224-234
pages 224-234 views

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