PENTAMER WITH INTERSTITIAL ATOM AS THE STRUCTURAL BLOCK OF RECONSTRUCTED Si(331) AND Ge(331) SURFACES

Atomic structure models of the Si(331) and Ge(331) surfaces are developed based on unified structural block, containing pentamer with interstitial atom. The work is performed using density functional calculations.

THE RESPONSE OF TITANIUM AND TUNGSTEN NANOWIRES TO MECHANICAL STRESS: AB INITIO STUDY

Using density functional theory, we studied the atomic, electronic and elastic properties of titanium and tungsten nanowires oriented in the [0001] and [111] directions, respectively. It was found that the Young’s modulus for W nanowire is 1.8 times smaller than the value for bulk tungsten, but for titanium nanowire is three times greater than the value for the bulk material.

METHODOLOGICAL APPROACHES TO EVALUATING THE EFFECTIVENESS OF THE «CKP «COMPUTER SCIENCE» IN SOLVING PROBLEMS OF SYNTHESIS OF NEW MATERIALS

Methodological approaches to evaluating the effectiveness of a high-performance platform for scientific research have been developed based on experience of the Shared Research Facilities «CKP «Computer science» of FRC CSC RAS. The general characteristics of the CKP «Computer science» are presented, including the main characteristics of its scientific equipment, the organization of the CKP's work and its capabilities. On this basis, a list of indicators of the efficiency of the CKP has been developed, taking into account its specificity and characterizing various aspects (system, technical, effectiveness) of the activity. Methods are proposed for calculating particular and generalized indicators of the effectiveness of CKP, as well as a general methodological approach to assessing its effectiveness. The features of the choice of performance indicators of CKP in solving problems of synthesis of new materials are noted.

CALCULATION OF THE REFLECTION SPECTRA OF Ge-Sb-Te DIFFRACTION GRATING USING THE TAUC–LORENTZ DISPERSION MODEL

In this paper reflection spectra in the near infrared range are calculated for the diffraction grating of Ge-Sb-Te alloy on a silicon-on-insulator waveguide with use of Tauc–Lorentz dispersion model and Matrix Riccati Equation method.

RESEARCH OF THE EFFICIENCY THE DESIGN A BIMETALLIC RADIATOR COPPER AND ALUMINUM FOR A HEAT-LOADED SOURCE OF ELECTRONIC TECHNOLOGY

The paper describes the results of a computational experiment to assess the efficiency and optimize the design of a heat sink for a heat-loaded source of electronic equipment in order to minimize the temperature of the source and reduce production costs.

INVESTIGATION OF THERMAL EFFECTS IN HfO2 RRAM STRUCTURES DURING THE RESET PROCESS

In this paper, the formation and rupture of a conducting filament in the Hf/HfO2/TiN structure are investigated. Theoretical consideration of the thermal effects occurring during the RESET process is covered. The analysis of the formation and rupture of a filament in an amorphous HfO2 layer is carried out. The introduction of the thin Al2O3 layer into the Hf/HfO2/TiN structure is also considered

SIMULATION OF THE TIME-DEPENDENT DIELECTRIC BREAKDOWN IN THE METALLIZATION SYSTEM OF INTEGRATED CIRCUITS OF THE MODERN TOPOLOGICAL LEVEL

In this work, simulation modeling of processes of the diffusion of ions of a metal barrier in low-k dielectric between two copper lines is performed

MODELING OF GAS-PHASE DEPOSITION AND BASIC INHOMOGENEITIES OF SILICON OXIDE LAYERS

A molecular-kinetic model of the deposition of layers from the gas phase is proposed. Impurity, polymorphism, and nonconformity are estimated as inhomogeneities of silicon oxide layers obtained by oxidation of monosilane and tetraethoxysilane.

APPLICATION OF MACHINE LEARNING METHODS FOR STUDYING OF CRYSTAL STRUCTURES PROPERTIES

In this work was described a model that allows obtaining the potential energy values of crystal structures using machine learning methods. The developed model was trained on the data obtained with the Tersoff and Morse potentials, using the selected parameters for Si, Ge, C, Al, W, Cu, Fe.

DETERMINATION OF THE INITIAL GUESS FOR THE PROBLEM OF MEMRISTOR MODEL PARAMETERS EXTRACTION USING MACHINE LEARNING ALGORITHMS

The focus of this work is on the algorithm of extraction of parameters of the memristor model from the experimentally obtained current-voltage characteristics. The problem of finding the initial guess for this algorithm based on current-voltage characteristic features is stated and solved by means of machine learning algorithms.