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Search results for: STENCIL COMPUTATIONS
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Tools, Methods and Services Enhancing the Usage of the Kepler-based Scientific Workflow Framework
PublicationScientific workflow systems are designed to compose and execute either a series of computational or data manipulation steps, or workflows in a scientific application. They are usually a part of a larger eScience environment. The usage of workflow systems, however very beneficial, is mostly not irrelevant for scientists. There are many requirements for additional functionalities around scientific workflows systems that need to be...
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Size Reduction of Microwave Couplers by EM-Driven Optimization
PublicationThis work addresses simulation-driven design optimization of compact microwave couplers that explicitly aims at circuit footprint area reduction. The penalty function approach allows us to minimize the area of the circuit while ensuring a proper power division between the output ports and providing a sufficient bandwidth with respect to return loss and isolation around the operating frequency. Computational cost of the optimization...
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Experimental and numerical evaluation of mechanical behaviour of composite structural insulated wall panels under edgewise compression
PublicationA composite structural insulated sandwich panel (CSIP) is a quite novel approach to the idea of sandwich structures. A series of natural-scale experimental test is required each time a change in panel’s geometry is planned and a reliable computational tool is required to precede actual laboratory testing with virtual simulations. An attempt of creating such a tool has been made with use of a commercial FEM code ABAQUS, in order...
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Chemical Vapor Transport Route toward Black Phosphorus Nanobelts and Nanoribbons
PublicationChemical vapor transport (CVT) method is widely used for bulk black phosphorus (BP) fabrication. In this work, we demonstrate that CVT provides a route for the fabrication of BP nanoribbons and nanobelts. This method consists of a two-step procedure, including initial BP column growth using the CVT technique, followed by ultrasonic treatment and centrifugation. The obtained nanostructures preserve BP column dimensions, forming...
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The impact of the temperament model on the behavior of an autonomous driver
PublicationBecause it is generally believed that the personality and temperament of a human driver influence his/her behavior on the road, the article presents a computational model of the temperament of an autonomous agent - a driver. First, a short review of the four ideas of Galen’s temperament in psychology is presented. Temperament traits are grouped into four other sets, one of which is chosen for implementation in the project of integration...
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Novel structure and EM-driven design of miniaturized microstrip rat-race coupler
PublicationIn this paper, a novel structure and design procedure of a miniaturized microstrip rat-race coupler (RRC) is described. Small size of the RRC is achieved by folding the transmission lines of the conventional circuit into its interior, as well as by implementation of the structure on three layers. The final size of the coupler realized for the operating frequency of 1 GHz is only 220 mm2, which gives over 95% footprint reduction...
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Evaluating the position of a mobile robot using accelerometer data
PublicationThis paper analyses the problem of determining the position of a robot using an accelerometer, which is an essential part of inertial measurement units (IMU). The information gained from such a gauge, however, requires double integration of sensor data. To assure an expected effect, a mathematical model of a low-cost accelerometer of the MEMS type is derived. Moreover, in order to improve the performance of positioning based on...
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On the interspike-intervals of periodically-driven integrate-and-fire models
PublicationWe analyze properties of the firing map, which iterations give information about consecutive spikes, for periodically driven linear integrate-and-fire models. By considering locally integrable (thus in general not continuous) input functions, we generalize some results of other authors. In particular, we prove theorems concerning continuous dependence of the firing map on the input in suitable function spaces. Using mathematical...
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Central-force decomposition of spline-based modified embedded atom method potential
PublicationCentral-force decompositions are fundamental to the calculation of stress fields in atomic systems by means of Hardy stress. We derive expressions for a central-force decomposition of the spline-based modified embedded atom method (s-MEAM) potential. The expressions are subsequently simplified to a form that can be readily used in molecular-dynamics simulations, enabling the calculation of the spatial distribution of stress in...
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Matching Split Distance for Unrooted Binary Phylogenetic Trees
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GaMRed – adaptive filtering of high-throughput biological data
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Adjustment for shape restoration and force control of cable arch stayed bridges
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3D Computer Model of the Hip Joint Cartilage
PublicationThis paper presents 3D computer model of the hip joint cartilage in the ANSYS program. Model is made on the basis of anatomy and collected data on the material constants of bone and cartilage components. Analysis and comparison of biochemical model, viscoelastic and molecular mixed - aggregation serves to facilitate the creation of the next model of reality, which could be used in the design of joint prostheses. The correctness...
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Molecular modeling and evaluation of novel dibenzopyrrole derivatives as telomerase inhibitors and potential drug for cancer therapy
PublicationDuring previous years, many studies on synthesis, as well as on anti-tumor, anti-inflammatory and anti-bacterial activities of the pyrazole derivatives have been described. Certain pyrazole derivatives exhibit important pharmacological activities and have proved to be useful template in drug research. Considering importance of pyrazole template, in current work the series of novel inhibitors were designed by replacing central...
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Matching Split Distance for Unrooted Binary Phylogenetic Trees
PublicationRekonstrukcja drzew ewolucji jest jednym z głównych celów w bioinformatyce. Drzewa filogenetyczne reprezentuje historię ewolucji i związki pokrewieństwa między różnymi gatunkami. W pracy proponujemy nową ogólną metodę określania odległości między nieukorzenionymi drzewami filogenetycznymi, szczególnie użyteczną dla dużych zbiorów gatunków. Następnie podajemy szczegółowe własności jednej metryki określonej przy użyciu tej metody...
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Establishing the allosteric mechanism in CRISPR‐Cas9
PublicationAllostery is a fundamental property of proteins, which regulates biochemical information transfer between spatially distant sites. Here, we report on the critical role of molecular dynamics (MD) simulations in discovering the mechanism of allosteric communication within CRISPR‐Cas9, a leading genome editing machinery with enormous promises for medicine and biotechnology. MD revealed how allostery intervenes during at least three...
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Pre‐exascale HPC approaches for molecular dynamics simulations. Covid‐19 research: A use case
PublicationExascale computing has been a dream for ages and is close to becoming a reality that will impact how molecular simulations are being performed, as well as the quantity and quality of the information derived for them. We review how the biomolecular simulations field is anticipating these new architectures, making emphasis on recent work from groups in the BioExcel Center of Excellence for High Performance Computing. We exemplified...
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A New Type of Macro-Elements for Efficient Two-Dimensional FEM Analysis
PublicationThis letter deals with a model order reduction technique applicable for driven and eigenvalue problems solved using the finite element method (FEM). It allows one to efficiently compute electromagnetic parameters of structures comprising small features that require strong local mesh refinement. The subdomains of very fine mesh are separated from the global domain as so called macro-elements that undergo model reduction. The macro-elements...
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FDTD Method for Electromagnetic Simulations in Media Described by Time-Fractional Constitutive Relations
PublicationIn this paper, the finite-difference time-domain (FDTD) method is derived for electromagnetic simulations in media described by the time-fractional (TF) constitutive relations. TF Maxwell’s equations are derived based on these constitutive relations and the Grünwald–Letnikov definition of a fractional derivative. Then the FDTD algorithm, which includes memory effects and energy dissipation of the considered media, is introduced....
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Implementation of Extended Kalman Filter with Optimized Execution Time for Sensorless Control of a PMSM Using ARM Cortex-M3 Microcontroller
PublicationThis paper addresses the implementation and optimization of an Extended Kalman Filter (EKF) for the Permanent Magnet Synchronous Motor (PMSM) sensorless control using an ARM Cortex-M3 microcontroller. A various optimization levels based on arithmetic calculation reduction was implemented in ARM Cortex-M3 microcontroller. The execution time of EKF estimator was reduced from 260.4 μs to 37.7 μs without loss of accuracy. To further...
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Stability analysis of interconnected discrete-time fractional-order LTI state-space systems
PublicationIn this paper, a stability analysis of interconnected discrete-time fractional-order (FO) linear time-invariant (LTI) state-space systems is presented. A new system is formed by interconnecting given FO systems using cascade, feedback, parallel interconnections. The stability requirement for such a system is that all zeros of a non-polynomial characteristic equation must be within the unit circle on the complex z-plane. The obtained...
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Analysis of unsteady flow forces on the thermowell of steam temperature sensor
PublicationIn this paper, 3D numerical analysis of unsteady flow forces acting on the measuring sheath of steam temperature is presented. According to that purpose, the CFD (Computation Fluid Dynamic [1]) approach has been used. The nonstationary of fluid acting on the measuring sheath such as: Strouhal frequency, amplitude of pressure, structure of vortex, peak of pressure, field of pressure, field of velocity etc. are studied analytically...
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Bilateral multi-issue negotiation of execution contexts by proactive document agents
PublicationA proactive document can react to its actual environment by autonomously selecting and performing actions integrated into its body and interact with its user. When migrating over a network of execution devices it may encounter diverse execution contexts, each one set up according to temporal characteristics of a receiving device and preferences of its owner. A concept to augment proactive documents with negotiation capability is...
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Estimation of fracture toughness and shear yield stress of orthotropic materials in cutting with rotating tools
PublicationThe cutting force is an energetic effect of splitting material, and might be considered from a point of view of modern fracture mechanics. Forecasting of the shear plane angle in cutting broaden possibilities for modelling of the cutting process even for thin uncut chips. Such mathematical model has been developed here for description of the orthotropic materials’ cutting on the base of fracture theory, and includes work of separation...
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Fluid–Structure Interaction methods for the progressive anatomical and artificial aortic valve stenosis
PublicationCardiovascular system diseases, as aortic valve stenosis, are the main cause of mortality and morbidity among patients. There is still a room for enhancement of the diagnostic and therapeutic procedures, which will lead to improvement of the treatment. One of the remedies are the computer tools to support the medical diagnoses and prostheses design. The development of a procedure for modeling the aortic valves: anatomical tricuspid...
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Design centering of compact microwave components using response features and trust regions
PublicationFabrication tolerances, as well as uncertainties of other kinds, e.g., concerning material parameters or operating conditions, are detrimental to the performance of microwave circuits. Mitigating their impact requires accounting for possible parameter deviations already at the design stage. This involves optimization of appropriately defined statistical figures of merit such as yield. Alt-hough important, robust (or tolerance-aware)...
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Expedited Machine-Learning-Based Global Design Optimization of Antenna Systems Using Response Features and Multi-Fidelity EM Analysis
PublicationThe design of antenna systems poses a significant challenge due to stringent per-formance requirements dictated by contemporary applications and the high com-putational costs associated with models, particularly full-wave electromagnetic (EM) analysis. Presently, EM simulation plays a crucial role in all design phases, encompassing topology development, parametric studies, and the final adjustment of antenna dimensions. The latter...
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Improved-Efficacy EM-Driven Optimization of Antenna Structures Using Adaptive Design Specifications and Variable-Resolution Models
PublicationOptimization-driven parameter tuning is an essential step in the design of antenna systems. Although in many cases it is still conducted through parametric studies, rigorous numerical methods become a necessity if truly optimum designs are sought for, and the problem intricacies (number of variables, multiple goals, constraints) make the interactive approaches insufficient. The two practical considerations of electromagnetic (EM)-driven...
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Dimensionality-Reduced Antenna Modeling with Stochastically Established Constrained Domain
PublicationOver the recent years, surrogate modeling methods have become increasingly widespread in the design of contemporary antenna systems. On the one hand, it is associated with a growing awareness of numerical optimization, instrumental in achieving high-performance structures. On the other hand, considerable computational expenses incurred by massive full-wave electromagnetic (EM) analyses, routinely employed as a major design tool,...
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Global EM-Driven Optimization of Multi-Band Antennas Using Knowledge-Based Inverse Response-Feature Surrogates
PublicationElectromagnetic simulation tools have been playing an increasing role in the design of contemporary antenna structures. The employment of electromagnetic analysis ensures reliability of evaluating antenna characteristics but also incurs considerable computational expenses whenever massive simulations are involved (e.g., parametric optimization, uncertainty quantification). This high cost is the most serious bottleneck of simulation-driven...
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Recent advances in high-frequency modeling by means of domain confinement and nested kriging
PublicationDevelopment of modern high-frequency components and circuits is heavily based on full-wave electromagnetic (EM) simulation tools. Some phenomena, although important from the point of view of the system performance, e.g., EM cross-coupling effects, feed radiation in antenna arrays, substrate anisotropy, cannot be adequately accounted for using simpler means such as equivalent network representations. Consequently, the involvement...
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Cost-Efficient EM-Driven Size Reduction of Antenna Structures by Multi-Fidelity Simulation Models
PublicationDesign of antenna systems for emerging application areas such as the Internet of Things (IoT), fifth generation wireless communications (5G), or remote sensing, is a challenging endeavor. In addition to meeting stringent performance specifications concerning electrical and field properties, the structure has to maintain small physical dimensions. The latter normally requires searching for trade-off solutions because miniaturization...
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Expedited constrained multi-objective aerodynamic shape optimization by means of physics-based surrogates
PublicationIn the paper, computationally efficient constrained multi-objective design optimization of transonic airfoil profiles is considered. Our methodology focuses on fixed-lift design aimed at finding the best possible trade-offs between the two objectives: minimization of the drag coefficient and maximization of the pitching moment. The algorithm presented here exploits the surrogate-based optimization principle, variable-fidelity computational...
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Using Statistical Methods to Estimate The Worst Case Response Time of Network Software Running on Indeterministic Hardware Platforms
PublicationIn this paper we investigate whether the statistical Worst Case Execution Time (WCET) estimation methods devised for embedded platforms can be successfully applied to find the Worst Case Response Time (WCRT) of a network application running on a complex hardware platform such as a contemporary commercial off-the-shelf (COTS) system. Establishing easy-to-use timing validation techniques is crucial for real-time applications and...
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An Attempt to Develop a Model Selection Algorithm of Computer Simulation during the Design Process of Mechanical Response of Any Mechanical Body
PublicationIn the literature, there are algorithms associated with the design of simulations of technological processes, in which the material model has always been defined previously. However, in none of the studies of computer simulation modelling of technological processes known to the authors of this article, is there a detailed description of how the algorithm, or the selection of plastic model used, is subject to this process. This...
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An attempt to develop a model selection algorithm of computer simulation during the design process of mechanical response of any mechanical body
Publicationn the literature, there are algorithms associated with the design of simulations of technological processes, in which the material model has always been defined previously. However, in none of the studies of computer simulation modelling of technological processes known to the authors of this article, is there a detailed description of how the algorithm, or the selection of plastic model used, is subject to this process. This article...
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Effectiveness of Random Field Approach in Serviceability Limit State Analysis of Strip Foundation
PublicationThis work conducts a probabilistic inquiry on how the variability of the parameter defining soil deformability affects the settlement of the foundation located on the soil. The analysis addresses the random foundation model to relevantly estimate the probability of allowable deflection exceedance. The constitutive model parameter is based either on a single random variable or a random field. The computations incorporate direct...
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Energy-Aware Scheduling for High-Performance Computing Systems: A Survey
PublicationHigh-performance computing (HPC), according to its name, is traditionally oriented toward performance, especially the execution time and scalability of the computations. However, due to the high cost and environmental issues, energy consumption has already become a very important factor that needs to be considered. The paper presents a survey of energy-aware scheduling methods used in a modern HPC environment, starting with the...
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Robust four-node elements based on Hu–Washizu principle for nonlinear analysis of Cosserat shells
PublicationMixed 4-node shell elements with the drilling rotation and Cosserat-type strain measures based onthe three-field Hu–Washizu principle are proposed. In the formulation, apart from displacement and rotationfields, both strain and stress resultant fields are treated as independent. The elements are derived in the frame-work of a general nonlinear 6-parameter shell theory dedicated to the analysis of multifold irregular shells.The...
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Nonlinear Modeling in Time Domain Numerical Analysis of Stringed Instrument Dynamics
PublicationMusical instruments are very various in terms of sound quality with their timbre shaped by materials and geometry. Materials' impact is commonly treated as dominant one by musicians, while it is unclear whether it is true or not. The research proposed in the study focuses on determining influence of both these factors on sound quality based on their impact on harmonic composition. Numerical approach has been chosen to allowed independent...
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EMI attenuation in a DC-DC buck converter using GaN HEMT
PublicationA dc-dc buck converter using gallium nitride (GaN) high electron mobility transistors (HEMT) is experimentally investigated at the discontinuous current mode (DCM) and at the triangular current mode (TCM) operation. The paper objective is to specify the power conversion efficiency and attenuation of common mode (CM) and differential mode (DM) noise voltage, measured at the line impedance stabilization network (LISN) for compared...
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Development of Domain-Specific Solutions within the Polish Infrastructure for Advanced Scientific Research
PublicationThe Polish Grid computing infrastructure was established during the PL-Grid project (2009-2012). The main purpose of this Project was to provide the Polish scientists with an IT basic platform, allowing them to conduct interdisciplinary research on a national scale, and giving them transparent access to international grid resources via international grid infrastructures. Currently, the infrastructure is maintained and extended...
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Symulacja komputerowa obiektu dynamicznego na przykładzie biogazowni
PublicationW artykule przedstawiono symulator czasu rzeczywistego biogazowni rolniczej. Przedstawiony symulator obejmuje obiegi biomasy, biogazu a także obieg grzewczy wraz z systemem sterowania urządzeniami układów biogazowni oraz wizualizacją procesów. Badania koncentrowały się na wykonaniu symulatora, który odzwierciedla istniejące instalacje. Oprogramowaniem służącym do symulacji jest system CFD (Computational Fluid Dynamics) dający...
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Experimental and numerical evaluation of mechanical behaviour of composite structural insulated panels
PublicationComposite structural insulated panels (CSIPs) are novel prefabricated elements for structural applications. Panels under consideration are made from glass-fibre reinforced magnesia cement boards as facesheets and expanded polystyrene foam (EPS) as a core. Quasi-static full-scale and model bending tests under monotonic loading were performed to recognize mechanical properties of CSIPs in flexure. In addition, tensile, compressive,...
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Expedited design of microstrip antenna subarrays using surrogate-based optimization
PublicationComputationally efficient simulation-driven design of microstrip antenna subarrays is presented. The proposed design approach aims at simultaneous adjustment of all relevant geometry parameters of the subarray, which allows us to take into account the effect of the feeding network on the subarray radiation pattern (in particular, the side lobe level, SLL). In order to handle a large number of variables involved in the design process,...
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Fast Multi-Objective Optimization of Narrow-Band Antennas Using RSA Models and Design Space Reduction
PublicationComputationally efficient technique for multi-objective design optimization of narrow-band antennas is presented. In our approach, the corrected low-fidelity antenna model (obtained through coarse-discretization EM simulations) is enhanced using frequency scaling and response correction, sampled, and utilized to obtain a fast response surface approximation (RSA) antenna surrogate. The RSA model is constructed in the reduced design space....
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Identification of Unstable Reference Points and Estimation of Displacements Using Squared Msplit Estimation
PublicationThe article presents a new version of the method for estimating parameters in a split functional model, which enables the determination of displacements of geodetic network points with constrained datum. The main aim of the study is to present theoretical foundations of Msplit CD estimation and its basic properties and possible applications. Particular attention was paid to the efficacy of the method in the context of geodetic...
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Numerical simulation of natural convection of Glycol-Al2O3 nanofluids from a horizontal cylinder
PublicationThis paper deals with natural convection around a circular cylinder with constant heat flux in a cavity using computational fluid dynamics. As fluids ethylene glycol and a mixture of ethylene glycol with Al2O3 nanoparticles (mass concentrations of nanoparticles: 0.1% and 1%) are chosen. Rayleigh number ranges from 3104 to 3105. The nanofluids are modeled with single-phase approach. For the investigated range of nanoparticle concentration, the...
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Network-assisted processing of advanced IoT applications: challenges and proof-of-concept application
PublicationRecent advances in the area of the Internet of Things shows that devices are usually resource-constrained. To enable advanced applications on these devices, it is necessary to enhance their performance by leveraging external computing resources available in the network. This work presents a study of computational platforms to increase the performance of these devices based on the Mobile Cloud Computing (MCC) paradigm. The main...
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CONCRETE MIX DESIGN USING ABRAMS AND BOLOMEY METHODS
PublicationOne way to reduce the consumption of cement is to optimize its use. Many known methods of concrete design, based on the Abrams law and the Bolomey method. Therefore, the authors chose those methods for analysis. The concrete composition with the assumed strength class, calculated by any method differs significantly. This applies especially to the cement content, as its content in the composition of concrete varies from 20 to 50%....