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In this paper, we proposed a two-dimensional chemo-mechanical model of the growth of invasive carcinoma in epithelial tissue. Each cell is modeled by an elastic polygon, changing its shape and size under the influence of pressure forces acting from the tissue. The average size and shape of the cells have been calibrated on the basis of experimental data. The model allows to describe the dynamic deformations in epithelial tissue as a collective evolution of cells interacting through the exchange of mechanical and chemical signals. The general direction of tumor growth is controlled by a pre-established linear gradient of nutrient concentration. Growth and deformation of the tissue occurs due to the mechanisms of cell division and intercalation. We assume that carcinoma has a heterogeneous structure made up of cells of different phenotypes that perform various functions in the tumor. The main parameter that determines the phenotype of a cell is the degree of its adhesion to the adjacent cells. Three main phenotypes of cancer cells are distinguished: the epithelial (E) phenotype is represented by internal tumor cells, the mesenchymal (M) phenotype is represented by single cells and the intermediate phenotype is represented by the frontal tumor cells. We assume also that the phenotype of each cell under certain conditions can change dynamically due to epithelial-mesenchymal (EM) and inverse (ME) transitions. As for normal cells, we define the main E-phenotype, which is represented by ordinary cells with strong adhesion to each other. In addition, the normal cells that are adjacent to the tumor undergo a forced EM-transition and form an M-phenotype of healthy cells. Numerical simulations have shown that, depending on the values of the control parameters as well as a combination of possible phenotypes of healthy and cancer cells, the evolution of the tumor can result in a variety of cancer structures reflecting the self-organization of tumor cells of different phenotypes. We compare the structures obtained numerically with the morphological structures revealed in clinical studies of breast carcinoma: trabecular, solid, tubular, alveolar and discrete tumor structures with ameboid migration. The possible scenario of morphogenesis for each structure is discussed. We describe also the metastatic process during which a single cancer cell of ameboid phenotype moves due to intercalation in healthy epithelial tissue, then divides and undergoes a ME transition with the appearance of a secondary tumor.

Metal hydrides are an interesting class of chemical compounds that can reversibly bind a large amount of hydrogen and are, therefore, of interest for energy applications. Understanding the factors affecting the kinetics of hydride formation and decomposition is especially important. Features of the material, experimental setup and conditions affect the mathematical description of the processes, which can undergo significant changes during the processing of experimental data. The article proposes a general approach to numerical modeling of the formation and decomposition of metal hydrides and solving inverse problems of estimating material parameters from measurement data. The models are divided into two classes: diffusive ones, that take into account the gradient of hydrogen concentration in the metal lattice, and models with fast diffusion. The former are more complex and take the form of non-classical boundary value problems of parabolic type. A rather general approach to the grid solution of such problems is described. The second ones are solved relatively simply, but can change greatly when model assumptions change. Our experience in processing experimental data shows that a flexible software tool is needed; a tool that allows, on the one hand, building models from standard blocks, freely changing them if necessary, and, on the other hand, avoiding the implementation of routine algorithms. It also should be adapted for high-performance systems of different paradigms. These conditions are satisfied by the HIMICOS library presented in the paper, which has been tested on a large number of experimental data. It allows simulating the kinetics of formation and decomposition of metal hydrides, as well as related tasks, at three levels of abstraction. At the low level, the user defines the interface procedures, such as calculating the time layer based on the previous layer or the entire history, calculating the observed value and the independent variable from the task variables, comparing the curve with the reference. Special algorithms can be used for solving quite general parabolic-type boundary value problems with free boundaries and with various quasilinear (i.e., linear with respect to the derivative only) boundary conditions, as well as calculating the distance between the curves in different metric spaces and with different normalization. This is the middle level of abstraction. At the high level, it is enough to choose a ready tested model for a particular material and modify it in relation to the experimental conditions.

In this paper, compared fundamentally different turbulence models for calculating a strongly swirling flow in an abrupt expanding pipe. This task is not only of great importance in practice, but also in theoretical terms. Because in such a flow a very complex anisotropic turbulence with recirculation zones arises and the study of the ongoing processes allows us to find an answer to many questions about turbulence. The flow under consideration has been well studied experimentally. Therefore, it is a very complex and interesting test problem for turbulence models. In the paper compared the numerical results of the one-parameter v_t-92 model, the SSG/LRR-RSMw2012 Reynolds stress method and the new two-fluid model. These models are very different from each other. Because the Boussinesq hypothesis is used in the one-parameter v_t-92 model, in the SSG/LRR-RSM-w2012 model, its own equation is written for each stress, and for the new two-fluid model, the basis is a completely different approach to turbulence. A feature of the approach to turbulence for the new two-fluid model is that it allows one to obtain a closed system of equations. Comparison of these models is carried out not only by the correspondence of their results with experimental data, but also by the computational resources expended on the numerical implementation of these models. Therefore, in this work, for all models, the same technique was used to numerically calculate the turbulent swirling flow at the Reynolds number $Re=3\cdot 10^4$ and the swirl parameter $S_w=0.6$. In the paper showed that the new two-fluid model is effective for the study of turbulent flows, because has good accuracy in describing complex anisotropic turbulent flows and is simple enough for numerical implementation.

Laser damage to transparent solids is a major limiting factor output power of laser systems. For laser rangefinders, the most likely destruction cause of elements of the optical system (lenses, mirrors) actually, as a rule, somewhat dusty, is not an optical breakdown as a result of avalanche, but such a thermal effect on the dust speck deposited on an element of the optical system (EOS), which leads to its ignition. It is the ignition of a speck of dust that initiates the process of EOS damage.

The corresponding model of this process leading to the ignition of a speck of dust takes into account the nonlinear Stefan –Boltzmann law of thermal radiation and the infinite thermal effect of periodic radiation on the EOS and the speck of dust. This model is described by a nonlinear system of differential equations for two functions: the EOS temperature and the dust particle temperature. It is proved that due to the accumulating effect of periodic thermal action, the process of reaching the dust speck ignition temperature occurs almost at any a priori possible changes in this process of the thermophysical parameters of the EOS and the dust speck, as well as the heat exchange coefficients between them and the surrounding air. Averaging these parameters over the variables related to both the volume and the surfaces of the dust speck and the EOS is correct under the natural constraints specified in the paper. The entire really significant spectrum of thermophysical parameters is covered thanks to the use of dimensionless units in the problem (including numerical results).

A thorough mathematical study of the corresponding nonlinear system of differential equations made it possible for the first time for the general case of thermophysical parameters and characteristics of the thermal effect of periodic laser radiation to find a formula for the value of the permissible radiation intensity that does not lead to the destruction of the EOS as a result of the ignition of a speck of dust deposited on the EOS. The theoretical value of the permissible intensity found in the general case in the special case of the data from the Grasse laser ranging station (south of France) almost matches that experimentally observed in the observatory.

In parallel with the solution of the main problem, we derive a formula for the power absorption coefficient of laser radiation by an EOS expressed in terms of four dimensionless parameters: the relative intensity of laser radiation, the relative illumination of the EOS, the relative heat transfer coefficient from the EOS to the surrounding air, and the relative steady-state temperature of the EOS.

The creation of a virtual laboratory stand that allows one to obtain reliable characteristics that can be proven as actual, taking into account errors and noises (which is the main distinguishing feature of a computational experiment from model studies) is one of the main problems of this work. It considers the following task: there is a rectangular waveguide in the single operating mode, on the wide wall of which a technological hole is cut, through which a sample for research is placed into the cavity of the transmission line. The recovery algorithm is as follows: the laboratory measures the network parameters (S₁₁ and/or S₂₁) in the transmission line with the sample. In the computer model of the laboratory stand, the sample geometry is reconstructed and an iterative process of optimization (or sweeping) of the electrophysical parameters is started, the mask of this process is the experimental data, and the stop criterion is the interpretive estimate of proximity (or residual). It is important to note that the developed computer model, along with its apparent simplicity, is initially ill-conditioned. To set up a computational experiment, the Comsol modeling environment is used. The results of the computational experiment with a good degree of accuracy coincided with the results of laboratory studies. Thus, experimental verification was carried out for several significant components, both the computer model in particular and the algorithm for restoring the target parameters in general. It is important to note that the computer model developed and described in this work may be effectively used for a computational experiment to restore the full dielectric parameters of a complex geometry target. Weak bianisotropy effects can also be detected, including chirality, gyrotropy, and material nonreciprocity. The resulting model is, by definition, incomplete, but its completeness is the highest of the considered options, while at the same time, the resulting model is well conditioned. Particular attention in this work is paid to the modeling of a coaxial-waveguide transition, it is shown that the use of a discrete-element approach is preferable to the direct modeling of the geometry of a microwave device.

Hemostasis system is one of the key body’s defense systems, which is presented in all the liquid tissues and especially important in blood. Hemostatic response is triggered as a result of the vessel injury. The interaction between specialized cells and humoral systems leads to the formation of the initial hemostatic clot, which stops bleeding. After that the slow process of clot dissolution occurs. The formation of hemostatic plug is a unique physiological process, because during several minutes the hemostatic system generates complex structures on a scale ranging from microns for microvessel injury or damaged endothelial cell-cell contacts, to centimeters for damaged systemic arteries. Hemostatic response depends on the numerous coordinated processes, which include platelet adhesion and aggregation, granule secretion, platelet shape change, modification of the chemical composition of the lipid bilayer, clot contraction, and formation of the fibrin mesh due to activation of blood coagulation cascade. Computer modeling is a powerful tool, which is used to study this complex system at different levels of organization. This includes study of intracellular signaling in platelets, modelling humoral systems of blood coagulation and fibrinolysis, and development of the multiscale models of thrombus growth. There are two key issues of the computer modeling in biology: absence of the adequate physico-mathematical description of the existing experimental data due to the complexity of the biological processes, and high computational complexity of the models, which doesn’t allow to use them to test physiologically relevant scenarios. Here we discuss some key unresolved problems in the field, as well as the current progress in experimental research of hemostasis and thrombosis. New findings lead to reevaluation of the existing concepts and development of the novel computer models. We focus on the arterial thrombosis, venous thrombosis, thrombosis in microcirculation and the problems of fibrinolysis and thrombolysis. We also briefly discuss basic types of the existing mathematical models, their computational complexity, and principal issues in simulation of thrombus growth in arteries.

Calcium is a major nutrient regulating metabolism in a plant. Deficiency of calcium results in a growth decline of plant tissues. Ca may be lost from forest soils due to acidic atmospheric deposition and tree harvesting. Plant-available calcium compounds are in the soil cation exchange complex and soil waters. Model of soil calcium dynamics linking it with the model of soil organic matter dynamics ROMUL in forest ecosystems is developed. ROMUL describes the mineralization and humification of the fraction of fresh litter which is further transformed into complex of partially humified substance (CHS) and then to stable humus (H) in dependence on temperature, soil moisture and chemical composition of the fraction (nitrogen, lignin and ash contents, pH). Rates of decomposition and humification being coefficients in the system of ordinary differential equations are evaluated using laboratory experiments and verified on a set of field experiments. Model of soil calcium dynamics describes calcium flows between pools of soil organic matter. Outputs are plant nutrition, leaching, synthesis of secondary minerals. The model describes transformation and mineralization of forest floor in detail. Experimental data for calibration model was used from spruсe forest of Bulgaria.

This paper is devoted to investigation of the swirl flows. Such flows are widely used in various industrial processes. Swirl flows can be accompanied by time-dependent effects, for example, precession of the vortex core. In turn, the large-scale fluctuations due to the precession of the vortex can cause damage of structures and reduce of equipment reliability. Thus, for engineering calculations approaches that sufficiently well described such flows are required. This paper presents the technique of swirl flows calculation, tested for CFD packages Fluent and SigmaFlow. A numerical simulation of several swirl flow test problems was carried out. Obtained results are compared with each other and with the experimental data.

Here we demonstrate the results of kinetic modeilng of DNA double-strand breaks induction and repair and phosphorilated histone H2AX ($\gamma$-H2AX) and Rad51 foci formation in primary human fibroblasts exposed to low-LET ionizing radiation (IR). The model describes two major paths of DNA double-strand breaks repair: non-homologous end joining (NHEJ) and homologous recombination (HR) and considers interactions between DNA and several repair proteins (DNA-PKcs, ATM, Ku70/80, XRCC1, XRCC4, Rad51, RPA, etc.) using mass action equations and Michaelis–Menten kinetics. Experimental data on DNA rejoining kinetics and $\gamma$-H2AX and Rad51 foci formation in vicinity of double strand breaks in primary human fibroblasts exposed to low-LET IR with various dose rates and exposure times was utilized for training and statistical validation of the model.

Protection of aquatic biological resources in the coastal area has significant features (a large number of small fishing vessels, the dynamism of the situation, the use of coastal protection), by virtue of which stands in a class of applications. A mathematical model of protection designed for the determination of detection equipment and means of violators of the situation in order to ensure the function of deterrence of illegal activities. Resolves a tactical game-theoretic problem - find the optimal line patrol (parking) means of implementation (guard boats) and optimal removal of seats from the shore fishing violators. Using the methods of the theory of experimental design, linear regression models to assess the contribution of the main factors affecting the results of the simulation.

In order to enhance the sustainability and adequacy of the model is proposed to use the mechanism of rankings means of protection, based on the borders and the rank and Pareto allows to take into account the principles of protection and further means of protection. To account for the variability of the situation offered several scenarios in which it is advisable to perform calculations.