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Search results for: VALIDATION OF NUMERICAL CALCULATIONS
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Cross sections for electron scattering from furan molecules; measurements and calculations
PublicationZmierzono i policzono przekroje czynne (TCS) na rozproszenie elektronów na drobinach furanu (C4H4O). Całkowite przekroje czynne zmierzono metodą transmisyjną w zakresie energii 0.6 - 400 eV. Sprężysty i jonizacyjny przekrój czyny obliczono dla energii zderzenia do 4 keV; powyżej 70 eV suma obu przekrojów pozostaje w dobrej zgodności z mierzonymi wartościami TCS.
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Phonons of (100) and (110) iron surfaces from first-principles calculations
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Relativistic calculations of X-ray photoelectron spectra and the accuracy of the IOTC method*
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ELECTRON-IMPACT IONIZATION CROSS SECTIONS CALCULATIONS FOR PURINE AND PYRIMIDINE MOLECULES
PublicationCross sections for electron-impact ionization of purine and pyrimidine molecules have been calculated using binary-encounter-Bethe method for electron energies ranging from the ionization threshold up to 5 keV. Ionization cross section for purine molecules is 1.4 times higher than for pyrimidine molecules. Acceptable agreement between experimental and theoretical ionization data for pyrimidine molecule has been found.
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Coupled cluster and DFT calculations of 14N nuclear quadrupole coupling constants
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Cross section calculations for electron scattering from DNA and RNA bases.
PublicationPoliczono różniczkowy i scałkowany przekrój czynny na rozproszenie sprężyste elektronów (w przybliżeniu atomów niezależnych) na uracylu, cytozynie, guaninie, adeninie i tyminie w zakresie energii od 50-4000 eV. W przybliżeniu modelu BEB policzono również przekroje czynne na jonizację tych molekuł.
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The ab initio calculations of single nitrogen-vacancy defect center in diamond.
PublicationW artykule zaprezentowano rezultaty kwantowomechanicznych obliczeń ''ab initio'' struktury elektronowej defektu azot-wakans w diamencie. Do obliczeń wykorzystano model złożony z 63 atomów. Otrzymane wyniki zostały porównane z wcześniejszymi pracami teoretycznymi i doświadczalnymi.
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Law regulations against physical calculations - problems in water and sewage management
PublicationW pracy zostały opisane przykłady trzech typów problemów w zakresie gospodarki wodno-ściekowej, z jakimi można spotkać się w związku z wejściem w życie przepisów uwzględniających obowiązujące w tej dziedzinie dyrektywy Unii Europejskiej. Są to m.in. problemy ze zbyt szeroką możliwością interpretacji pewnych zapisów, problemy związane z nieuwzględnianiem w przepisach praw fizyki, a także brak ustawowej regulacji pewnych zagadnień.
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Cross section calculations for electron scattering from platinum chemotherapeutic compounds
PublicationCross section for electron impact ionization of carboplatin, C6H12N2O4Pt, and oxaliplatin, C8H14N2O4Pt, have been calculated within binary-encounter-Bethe model for energies from the ionization threshold up to 5000 eV. Cross section for elastic electron scattering from carboplatin and oxaliplatin molecules have also been derived using independent atom method (IAM) and additivity rule for collision energies ranging from 50 eV to...
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Calculations of labyrinth seals with and without diagnostic extraction in fluid-flow machines
PublicationLabyrinth seals are essential components of steam turbine unit constructions. Two types of labyrinth seals can be named, the first of which is the seal without diagnostic steam extraction, and the second – with extraction. The distribution of flow parameters along the packing is affected remarkably by the average seal clearance. The presence of diagnostic extraction leads to the equation system which is determinable and can be...
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Designing drainage systems – possible application of advanced calculations and hydrodynamical modeling
PublicationNowadays we can observe a faster development of drainage systems than ever. This gives us an opportunity to de- sign more efficient systems that can cope with the rapid growth of cities and, what comes with it, impervious surfaces. Here the question arises, whether traditional methods used in drainage system design are potent enough to cope with the emerging prob- lems and difficulties. In this paper we will make...
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CROSS SECTIONS CALCULATIONS FOR ELECTRON SCATTERING FROM RHODANINE AND CYANOACETIC ACID
PublicationCross sections for electron-impact ionization and for elastic electron scattering for rhodanine (C3H3NOS2) and cyanoacetic acid (C3H3NO2) have been calculated in wide impinging electron energy range.
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Numerical modelling and analysis of steel specimens subjected to marine immersed corrosion and tensile load
PublicationThe present study develops numerical models to analyse the behaviour of steel specimens subjected to marine immersed corrosion degradation and tensile load. The finite element method with the use of the explicit dynamic solver LS-DYNA, satisfying the quasi-static conditions, is employed. Two numerical models are developed, where in the first one, the scans of surfaces gathered from corroded plate specimens are implemented directly...
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Multicomponent ionic liquid CMC prediction
PublicationWe created a model to predict CMC of ILs based on 704 experimental values published in 43 publications since 2000. Our model was able to predict CMC of variety of ILs in binary or ternary system in a presence of salt or alcohol. The molecular volume of IL (Vm), solvent-accessible surface (Sˆ), solvation enthalpy (DsolvGN), concentration of salt (Cs) or alcohol (Ca) and their molecular volumes (Vms and Vma, respectively) were chosen...
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Direct solid phase microextraction combined with gas chromatography – Mass spectrometry for the determination of biogenic amines in wine
PublicationA direct method based on immersion solid phase microextraction (DI-SPME) gas chromatography mass-spectrometry (GC-MS) was optimized and validated for the determination of 16 biogenic amines in Polish wines. In the analysis two internal standards were used: 1,7-diaminoheptane and bis-3-aminopropylamine. The method allows for simultaneous extraction and derivatization, providing a simple and fast mode of extraction and enrichment....
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A new approach to a fast and accurate design of microwave circuits with complex topologies
PublicationA robust simulation-driven design methodology of microwave circuits with complex topologies has been presented. The general method elaborated is suitable for a wide class of N-port unconventional microwave circuits constructed as a deviation from classic design solutions. The key idea of the approach proposed lies in an iterative redesign of a conventional circuit by a sequential modification and optimisation of its atomic building...
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Development of a Terahertz Metamaterial Micro-Biosensor for Ultrasensitive Multispectral Detection of Early-Stage Cervical Cancer
PublicationThis research introduces an innovative design for a metamaterial-based compact multi-band biosensor aimed at early-stage cervical cancer detection. The device operates within the terahertz (THz) frequency range, specifically from zero to six THz. The proposed sensor architecture features a metamaterial layer composed of a patterned aluminum structure deposited on a polyimide substrate. The primary design objective is to optimize...
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A comparative analysis of methods and tools for low impact development (LID) site selection
PublicationThe site selection for Low Impact Development (LID) practices is a significant process. It affects the effectiveness of LID in controlling stormwater surface runoff, volume, flow rate, and infiltration. This research paper presents a comprehensive review of various methods used for LID site selection. It starts by introducing different methods and tools. Three main methods: index-based methods, GIS-based multi-criteria decision...
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Data-driven, probabilistic model for attainable speed for ships approaching Gdańsk harbour
PublicationThe growing demand for maritime transportation leads to increased traffic in ports. From this arises the need to observe the consequences of the specific speed ships reach when approaching seaports. However, usually the analyzed cases refer only to the statistical evaluation of the studied phenomenon or to the empirical modelling, ignoring the mutual influence of variables such as ship type, length or weather conditions. In this...
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Shielded HMSIW-based frequency-tunable self-quadruplexing antenna using different solid/liquid dielectrics
PublicationThis article proposes a frequency-tunable self-quadruplexing antenna based on a shielded half-mode substrate integrated waveguide (S-HMSIW). In order to reduce the size of the HMSIW cavity resonator and to obtain quad-band characteristics, a modied E-shaped slot is engraved on the top of the metal. The experimental validation is carried out after analyzing the data using a circuit model. Flexibility of each resonant frequency is...
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Low temperature broad band dielectric spectroscopy of multiferroic Bi6Fe2Ti3O18 ceramics
PublicationIn the present research the tool of broadband dielectric spectroscopy was utilized to characterize dielectric behavior of Bi6Fe2Ti3O18 (BFTO) Aurivillius-type multiferroic ceramics. Dielectric response of BFTO ceramics was studied in the frequency domain (Δν=0.1Hz – 10MHz) within the temperature range ΔT=-100°C – 200°C. The Kramers-Kronig data validation test was employed to validate the impedance data measurements and it was found...
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Computer Simulation in Predicting Biochemical Processes and Energy Balance at WWTPs
PublicationNowadays, the use of mathematical models and computer simulation allow analysis of many different technological solutions as well as testing various scenarios in a short time and at low financial budget in order to simulate the scenario under typical conditions for the real system and help to find the best solution in design or operation process. The aim of the study was to evaluate different concepts of biochemical processes and...
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Highly Miniaturized Self-Diplexed U-Shaped Slot Antenna Based on Shielded QMSIW
PublicationThis article presents an efficient yet simple design approach to highly miniaturized cavity-backed self-diplexing antenna (SDA) with high-isolation. The structure employs a shielded quarter-mode substrate integrated waveguide (QMSIW). Two U-shaped slots are engraved on the top conducting plane, which realize two frequency bands and significant size reduction. The slots are excited by two independent 50Ω orthogonal feed-lines to...
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User-assisted methodology targeted for building structure interpretable QSPR models for boosting CO2 capture with ionic liquids
PublicationTask-specific ionic liquid (IL) is an emerging class of compounds that may be environmentally friendly. Properly selected, these compounds may be green alternative to amine solutions and can replace them in post-combustion carbon dioxide (CO2) capture processes on an industrial scale. However, owing to the vast diversity of ions and their possible combinations, laboratory research is time consuming and expensive. Therefore, computational...
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Smart Virtual Product Development: Manufacturing Capability Analysis and Process Planning Module
PublicationSmart Virtual Product Development (SVPD) system provides effective use of information, knowledge, and experience in industry during the process of product development in Industry 4.0 scenario. This system comprises of three primary modules, each of which has been developed to cater to a need for digital knowledge capture for smart manufacturing in the areas of product design, production planning, and inspection planning. Manufacturing...
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Load path sensitivity and multiaxial fatigue life prediction of metals under non-proportional loadings
PublicationEngineering components often operate under complex loadings, in which the variable amplitude multiaxial stresses are raised by geometric discontinuities including holes, grooves, fillets and shoulders, etc. Besides, the non-proportional loading will lead to the rotation of maximum principal stress/strain and additional fatigue damage of structural elements in service. Consequently, the multiaxial and non-proportional loading have...
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A Compact Self-Hexaplexing Antenna Implemented on Substrate-Integrated Rectangular Cavity for Hexa-Band Applications
PublicationThis brief introduces a novel architecture of a compact self-hexaplexing antenna (SHA) implemented on a substrate-integrated rectangular cavity (SIRC) for hexa-band applications. The proposed SHA is configured by using an SIRC resonator, two Pi-shaped slots (PSSs), and six 50Ω microstrip feedlines. The PSSs are connected back-to-back and loaded on top of the SIRC resonator to produce six patch radiators (PRs). The PRs are excited...
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Numerical analysis of high temperature minichannels heat exchanger performance
PublicationNowadays, the most difficult technological challenge in energy sector is connected with the gas micro-CHP units, dedicated to the distributed power generation. They are expected to be of high efficiency and at the same time of compact in size. Regarding the first reason, significant increase in microturbine efficiency can only be achieved by increase in the engine operating temperature. Therefore, one of the critical elements in...
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Numerical analysis and in situ tests of the Grot Rowecki Bridge in Warsaw
PublicationThe paper presents the FEM analysis of the reconstructed the Grot-Rowecki Bridge over Vistula river in Warsaw. The bridge has seven spans and consists of two independent structures with the longest spans of 120 m. After reconstruction the bridge is over 10 m wider. The numerical, nonlinear analysis has been con-ducted on a global and local FEM models. These models are defined so as they strictly comply with global structural bridge...
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The files from COMREL software used in the numerical reliability assessment of the imperfect dome's displacements
Open Research DataThis dataset consists of an archive with the files from COMREL software used in the numerical reliability assessment of the imperfect dome's state of displacements.
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Experimental and numerical investigations of ultimate strength of degradated structures
PublicationThe presented work investigates the corrosion influence on the structural behaviour of structural elements. Nine welded large-scale stiffened plates, and 30 standard small specimens have been subjected to the accelerated marine immersed conditions. After corrosion testing, the specimens have been accurately measured in terms of surface characteristics. The coupon specimens were furtherly subjected to tensile loading to develop...
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Response of high voltage disconnector under seismic excitation - experimental and numerical study
PublicationThe efficiency of the energetic infrastructure system is a very import safety issue in the region experienced by the ground motion. The aim of the present paper is to show the results of the experimental and numerical study focused on the earthquake-induced response of the high voltage disconnector, which is an important element of energetic network. First, the impact tests as well as the sweep-sine shaking table tests were conducted....
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Particle Shape Effect on Macroscopic Behaviour of Underground Structures: Numerical and Experimental Study
PublicationThe mechanical performance of underground flexible structures such as buried pipes or culverts made of plastics depend not only on the properties of the structure, but also the material surrounding it. Flexible drains can deflect by 30% with the joints staying tight, or even invert. Large deformations of the structure are difficult to model in the framework of Finite Element Method, but straightforward in Discrete Element Methods....
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Particle Shape Effect on Macroscopic Behaviour of Underground Structures: Numerical and Experimental Study
PublicationAbstract: The mechanical performance of underground flexible structures such as buried pipes or culverts made of plastics depend not only on the properties of the structure, but also on the material surrounding it. Flexible drains can deflect by 30% with the joints staying tight, or even invert. Large deformations of the structure are difficult to model in the framework of Finite Element Method, but straightforward in Discrete...
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Three-dimensional numerical investigation of hybrid nanofluids in chain microchannel under electrohydrodynamic actuator
PublicationEnergy efficiency enhancement methods have received considerable attentionwithin the industry and scientific community, owing to the rising concern ofglobal energy sustainability. The present article attempts to scrutinize the effectsof electrohydrodynamics and nanofluids on the rate of heat transfer and fluidflow in the 3-D chain microchannels. Improved heat exchangers (e.g., chainmicrochannel) would have a key role in increasing...
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A conceptual design and numerical analysis of the mixerless urea-SCR system
PublicationIn the present study, an innovative design of the urea-selective catalytic reduction (SCR) system without conventional mixing elements was developed. The aim was to obtain a high degree of urea decomposition, and uniform ammonia distribution at the inlet to the catalyst, while minimising the liquid film deposition and keeping the compact design. The concept of the design was based on creating high turbulences and elongating...
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NUMERICAL ANALYSIS OF RUBBER BUMPERS INFLUENCE ON THE COLLIDING STEEL STRUCTURES
PublicationProblem of collisions of neighbouring structures is one of the important issues related to the safety of civil engineering structures. The safety and reliability of steel structures under impact loading is among a number of different aims during the design state. The aim of this paper is to present the results of numerical investigation of dynamic behavior of closely-separated steel structures under seismic excitation. Modal and transient...
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Diagnosis of Damage in a Steel Tank with Self-Supported Roof through Numerical Analysis
PublicationThe safety of civil engineering structures is one of the most important issues of building industry. That is why the assessment of the damage-involved structural response has recently become of major concern to engineers. Among a number of different approaches to diagnosis of damage, the method of measuring the changes in natural frequencies is considered to be one of the most effective indicators of global damage. From the practical...
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Earthquake–induced pounding on response of adjacent structures in series: experimental and numerical study
PublicationPounding between structures in series during earthquakes may cause serious damage in the structur-al elements. The aim of this paper is to show the results of an experimental and numerical study that is focused on pounding between more than two structures which may be called "structures in series". In this study, the shaking table experiments, as well as the numerical analyses, were performed using three tower models including...
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Modal modification of structural damping applied to increase the stability and convergence of numerical integration
PublicationThe presented paper refers to numerical tests done on systems fused of multibody and finite-element parts. The appearance of its multibody part gives rise to significant nonlinear components, i.e., second-order nonlinear differential equations express the dynamics. We usually solve these equations by “step-by-step” integration methods. When using the currently available integration algorithms, we approximate these initial systems...
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Numerical analysis of chip removing system operation in circular sawing machine using CFD software
PublicationPaper presents the analysis of the results of numerical simulations of the air flow process of wood chips removing system in the circular sawing machine. The attention is focused on the upper cover and bottom shelter of the chip removing system. Within the framework of the work a systematic numerical modeling of the air flow distribution in the cover and shelter during operation of the selected rotational speed of saw blade with...
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Technical fabrics in costruction of large scale roofs - numerical and experimental aspects
PublicationDesigning and construction of textile hanging roofs is the challenging subject for engineers. This type of structure needs geometrically and very often also physically non-linear calculations. Due to different behaviour of two families of threads (warp and weft), which during deformation can change the angle between their directions, they require special constitutive modelling. Also the loading of hanging roofs is very special....
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The Influence of Selected Parameters of Numerical Modelling on Strains and Stresses at Weld Toe Notch
PublicationLatest development in the field of welding technology and prefabrication enabled massive production of thin-walled sandwich structures. Multi-layered sandwich structures are fabricated with the use of high-power CO2 lasers, friction welding, arc welding, hybrid welding, or other technique designed for the special purpose. Steel or aluminium alloy plates with thickness between 1 and 5 mm are connected by internal stiffeners. Strength...
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Flow through a prosthetic mechanical aortic valve: Numerical model and experimental study
PublicationThis research presents a numerical model dedicated for virtual patient diagnostics in the field of synthetic valve implantation. The model operates based on computational fluid dynamics solver with implemented rigid body motion solver. Characteristic indicators related to the prosthetic valve were determined to assess the correctness of cardiac system operation after implantation. A novel approach for dynamic time discretization...
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Numerical simulation of grouding experiment
PublicationJednym z możliwych sposobów zwiększenia odporności kon strukcji statku na kolizje jest zaprojektowania jej w taki sposób, aby podczas zderzenia absorbowała możliwie dużą ilość energii. Jednym z nowych pomysłów jest idea, będąca tematem projektu CORET (EUREKA E!3614), zwiększenia odporności na rozdarcie poszycia poprzez dodanie do obecnej konstrukcji półelastycznej polimerowo-betonowej bariery ochronnej. Proces projektowania nowej...
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Numerical Modelling of Structures with Uncertainties
PublicationThe nature of environmental interactions, as well as large dimensions and complex structure of marine offshore objects, make designing, building and operation of these objects a great challenge. This is the reason why a vast majority of investment cases of this type include structural analysis, performed using scaled laboratory models and complemented by extended computer simulations. The present paper focuses on FEM modelling...
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Numerical assessment of ultimate strength of severe corroded stiffened plates
PublicationThe objective of this work is to investigate numerically (using the non-linear FEM and the approach stipulated by the Common Structural Rules) the severe nonuniform corrosion degradation effect on the ultimate strength of stiffened plates and compare the results to the already published experimental works. Different factors governing structural behavior of corroded stiffened plates are investigated, such as corrosion degradation level,...
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A Numerical Model Study on Grasse River Ice Control Structures
PublicationIce jams in the Grasse River have caused the erosion of capping material designed to prevent the resurfacing of the bed sediment in the PCB-contaminated area. Two in-stream ice-control structures are proposed to avoid the jam-induced erosion of the capping material. These two ice-control options are a pier-type ice-control structure and a reconstruction of a small hydropower dam upstream of the capping site. A numerical model study...
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Comparative analysis of different numerical models of a steel radial gate
PublicationHydrotechnical structures are important components in water management system and general flooding safety. Their reliability should be ensured since potential damage might lead to catastrophic consequences. Weir gates are considered to be highly vulnerable elements of each hydro power plant, with regard to its dynamic resistance. The aim of the paper is to compare different numerical models and their influence on the results of...
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Numerical Study of Concrete Mesostructure Effect on Lamb Wave Propagation
PublicationThe article presents the results of the numerical investigation of Lamb wave propagation in concrete plates while taking into account the complex concrete mesostructure. Several concrete models with randomly distributed aggregates were generated with the use of the Monte Carlo method. The influence of aggregate ratio and particle size on dispersion curves representing Lamb wave modes was analyzed. The results obtained for heterogeneous...