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The paper considers the process of flow formation in an outflow of a binary gas mixture through a thin slit into vacuum. An approach to modeling the flows of rarefied gas mixtures in the transient regime is proposed based on the direct solution of the Boltzmann kinetic equation, in which the conservative projection method is used to calculate the collision integrals. Calculation formulas are provided; the calculation procedure is described in detail in relation to the flow of a binary gas mixture. The Lennard–Jones potential is used as an interaction potential of molecules. A software modeling environment has been developed that makes it possible to study the flows of gas mixtures in a transitional regime on systems of cluster architecture. Due to the use of code parallelization technologies, an acceleration of calculations by 50–100 times was obtained. Numerical simulation of a two-dimensional outflow of a binary argon-neon gas mixture from a vessel into vacuum through a thin slit is carried out for various values of the Knudsen number. The graphs of the dependence of gas mixture components output flow on time in the process of establishing the flow are obtained. Non-stationary regions of strong separation of gas mixture components, in which the molecular densities ratio reaches 10 or more, were discovered. The discovered effect can have applications in the problem of gas mixtures separation.

In this work, we develop a model of the immune response to respiratory viral infections taking into account some particular properties of the SARS-CoV-2 infection. The model represents a system of ordinary differential equations for the concentrations of epithelial cells, immune cells, virus and inflammatory cytokines. Conventional analysis of the existence and stability of stationary points is completed by numerical simulations in order to study dynamics of solutions. Behavior of solutions is characterized by large peaks of virus concentration specific for acute respiratory viral infections.

At the first stage, we study the innate immune response based on the protective properties of interferon secreted by virus-infected cells. On the other hand, viral infection down-regulates interferon production. Their competition can lead to the bistability of the system with different regimes of infection progression with high or low intensity. In the case of infection outbreak, the incubation period and the maximal viral load depend on the initial viral load and the parameters of the immune response. In particular, increase of the initial viral load leads to shorter incubation period and higher maximal viral load.

In order to study the emergence and dynamics of cytokine storm, we consider proinflammatory cytokines produced by cells of the innate immune response. Depending on parameters of the model, the system can remain in the normal inflammatory state specific for viral infections or, due to positive feedback between inflammation and immune cells, pass to cytokine storm characterized by excessive production of proinflammatory cytokines. Furthermore, inflammatory cell death can stimulate transition to cytokine storm. However, it cannot sustain it by itself without the innate immune response. Assumptions of the model and obtained results are in qualitative agreement with the experimental and clinical data.

The work is devoted to the study of the influence of nonlinear processes in the boundary layer on the general nature of gas flows in microchannels of technical systems. Such a study is actually concerned with nanotechnology problems. One of the important problems in this area is the analysis of gas flows in microchannels in the case of transient and supersonic flows. The results of this analysis are important for the gas-dynamic spraying techique and for the synthesis of new nanomaterials. Due to the complexity of the implementation of full-scale experiments on micro- and nanoscale, they are most often replaced by computer simulations. The efficiency of computer simulations is achieved by both the use of new multiscale models and the combination of mesh and particle methods. In this work, we use the molecular dynamics method. It is applied to study the establishment of a gas microflow in a metal channel. Nitrogen was chosen as the gaseous medium. The metal walls of the microchannels consisted of nickel atoms. In numerical experiments, the accommodation coefficients were calculated at the boundary between the gas flow and the metal wall. The study of the microsystem in the boundary layer made it possible to form a multicomponent macroscopic model of the boundary conditions. This model was integrated into the macroscopic description of the flow based on a system of quasi-gas-dynamic equations. On the basis of such a transformed gas-dynamic model, calculations of microflow in real microsystem were carried out. The results were compared with the classical calculation of the flow, which does not take into account nonlinear processes in the boundary layer. The comparison showed the need to use the developed model of boundary conditions and its integration with the classical gas-dynamic approach.

Actin is a conserved structural protein that is expressed in all eukaryotic cells. When polymerized, it forms long filaments of fibrillar actin, or F-actin, which are involved in the formation of the cytoskeleton, in muscle contraction and its regulation, and in many other processes. The dynamic and mechanical properties of actin are important for interaction with other proteins and the realization of its numerous functions in the cell. We performed 204.8 ns long molecular dynamics (MD) simulations of an actin filament segment consisting of 24 monomers in the absence and the presence of MgADP at 300 K in the presence of a solvent and at physiological ionic strength using the AMBER99SBILDN and CHARMM36 force fields in the GROMACS software environment, using modern structural models as the initial structure obtained by high-resolution cryoelectron microscopy. MD calculations have shown that the stationary regime of fluctuations in the structure of the F-actin long segment is developed 80–100 ns after the start of the MD trajectory. Based on the results of MD calculations, the main parameters of the actin helix and its bending, longitudinal, and torsional stiffness were estimated using a section of the calculation model that is far enough away from its ends. The estimated subunit axial (2.72–2.75 nm) and angular (165–168^◦) translation of the F-actin helix, its bending (2.8–4.7 · 10⁻²⁶ N·m²), longitudinal (36–47·10⁻⁹ N), and torsional (2.6–3.1·10⁻²⁶ N·m²) stiffness are in good agreement with the results of the most reliable experiments. The results of MD calculations have shown that modern structural models of F-actin make it possible to accurately describe its dynamics and mechanical properties, provided that computational models contain a sufficiently large number of monomers, modern force fields, and relatively long MD trajectories are used. The inclusion of actin partner proteins, in particular, tropomyosin and troponin, in the MD model can help to understand the molecular mechanisms of such important processes as the regulation of muscle contraction.

This paper presents a methodology for modeling centrifugal pumps using the example of the NM 1250 260 main oil centrifugal pump. We use FlowVision CFD software as the numerical modeling instrument. Bench tests and numerical modeling use water as a working fluid. The geometrical model of the pump is fully three-dimensional and includes the pump housing to account for leakages. In order to reduce the required computational resources, the methodology specifies leakages using flow rate rather than directly modeling them. Surface roughness influences flow through the wall function model. The wall function model uses an equivalent sand roughness, and a formula for converting real roughness into equivalent sand roughness is applied in this work. FlowVision uses the sliding mesh method for simulation of the rotation of the impeller. This approach takes into account the nonstationary interaction between the rotor and diffuser of the pump, allowing for accurate resolution of recirculation vortices that occur at low flow rates.

The developed methodology has achieved high consistency between numerical simulations results and experiments at all pump operating conditions. The deviation in efficiency at nominal conditions is 0.42%, and in head is 1.9%. The deviation of calculated characteristics from experimental ones increases as the flow rate increases and reaches a maximum at the far-right point of the characteristic curve (up to 4.8% in head). This phenomenon occurs due to a slight mismatch between the geometric model of the impeller used in the calculation and the real pump model from the experiment. However, the average arithmetic relative deviation between numerical modeling and experiment for pump efficiency at 6 points is 0.39%, with an experimental efficiency measurement error of 0.72%. This meets the accuracy requirements for calculations. In the future, this methodology can be used for a series of optimization and strength calculations, as modeling does not require significant computational resources and takes into account the non-stationary nature of flow in the pump.

The second part presents numerical studies of the parameters of the lower ionosphere at altitudes of 40–90 km when heated by powerful high-frequency radio waves of various frequencies and powers. The problem statement is considered in the first part of the article. The main attention is paid to the interrelation between the energy and kinetic parameters of the disturbed $D$-region of the ionosphere in the processes that determine the absorption and transformation of the radio beam energy flux in space and time. The possibility of a significant difference in the behavior of the parameters of the disturbed region in the daytime and at nighttime, both in magnitude and in space-time distribution, is shown. In the absence of sufficiently reliable values of the rate constants for a number of important kinetic processes, numerical studies were carried out in stages with the gradual addition of individual processes and kinetic blocks corresponding at the same time to a certain physical content. It is shown that the energy thresholds for inelastic collisions of electrons with air molecules are the main ones. This approach made it possible to detect the effect of the emergence of a self-oscillating mode of changing parameters if the main channel for energy losses in inelastic processes is the most energy-intensive process — ionization. This effect may play a role in plasma studies using high-frequency inductive and capacitive discharges. The results of calculations of the ionization and optical parameters of the disturbed $D$-region for daytime conditions are presented. The electron temperature, density, emission coefficients in the visible and infrared ranges of the spectrum are obtained for various values of the power of the radio beam and its frequency in the lower ionosphere. The height-time distribution of the absorbed radiation power is calculated, which is necessary in studies of higher layers of the ionosphere. The influence on the electron temperature and on the general behavior of the parameters of energy losses by electrons on the excitation of vibrational and metastable states of molecules has been studied in detail. It is shown that under nighttime conditions, when the electron concentration begins at altitudes of about 80 km, and the concentration of heavy particles decreases by two orders of magnitude compared to the average $D$-region, large-scale gas-dynamic motion can develop with sufficient radio emission power The algorithm was developed based on the McCormack method and two-dimensional gas-dynamic calculations of the behavior of the parameters of the perturbed region were performed with some simplifications of the kinetics.

This article is dedicated to numerical modeling of heat and mass transfer processes in microchannels. Microchannels are channels, that characteristic diameter is about 100 μm. Interest to the study of processes in them is growing every year, due to the rapid development of microfluid technique. The study was conducted using the software package σFlow. Isothermal and nonisothermal flows in microchannels of various configurations were considered. The obtained results were compared with available experimental and analytical data. In general for all problems a good agreement was obtained.

The paper presents an optimization approach to microstructure simulation. Porosity function was optimized by numerical method, grain-size model was optimized by complex method based on criteria of model quality. Methods have been validated on examples. Presented new regression model of model quality. Actual application of proposed method is 3D reconstruction of core sample microstructure. Presented results suggest to prolongation of investigations. 

On the basis of the MGD equations we consider 2D- and 3D- nonstationary problems about the evolution of perturbations in the lower atmosphere and the Earth’s ionosphere which are caused by the movement of large meteoroids along gently sloping paths of the entry with the simulation of their destruction by the momentary increase of the midship at the point of the pressure head maximum. According to the results of our numerical investigation we obtain and analyze the detailed spatial-temporal distributions of the main parameters of the plasma flows from which in particular a number of phenomena that are similar to those seen in the Chelyabinsk phenomenon follow.

New numerical simulation technique to calculate electrical properties of rocks with two-phase “oil– water” saturation is proposed. This technique takes into account surface conductivity of electrical double layers at the contact between solid rock and aqueous solution inside pore space. The numerical simulation technique is based on acquiring of electrical potential distribution in high-resolution three-dimensional digital model of porous medium. The digital model incorporates the spatial geometry of pore channels and contains bulk and surface grid cells. Numerical simulation results demonstrate the importance of surface conductivity effects.