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Search results for: NUMERICAL COMPUTATIONS
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Rapid design optimization of antennas using variable-fidelity EM models and adjoint sensitivities
PublicationPurpose – Development of techniques for expedited design optimization of complex and numerically expensive electromagnetic (EM) simulation models of antenna structures validated both numerically and experimentally. The paper aims to discuss these issues. Design/methodology/approach – The optimization task is performed using a technique that combines gradient search with adjoint sensitivities, trust region framework, as well as...
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Fast multi-objective design optimization of microwave and antenna structures using data-driven surrogates and domain segmentation
PublicationPurpose Strategies and algorithms for expedited design optimization of microwave and antenna structures in multi-objective setup are investigated. Design/methodology/approach Formulation of the multi-objective design problem oriented towards execution of the population-based metaheuristic algorithm within the segmented search space is investigated. Described algorithmic framework exploit variable fidelity modeling, physics- and...
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A framework for accelerated optimization of antennas using design database and initial parameter set estimation
PublicationThe purpose of this paper is to exploit a database of pre-existing designs to accelerate parametric optimization of antenna structures is investigated. Design/methodology/approach The usefulness of pre-existing designs for rapid design of antennas is investigated. The proposed approach exploits the database existing antenna base designs to determine a good starting point for structure optimization and its response sensitivities....
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RANS-based design optimization of dual-rotor wind turbines
PublicationPurpose An improvement in the energy efficiency of wind turbines can be achieved using dual rotors. Because of complex flow physics, the design of dual-rotor wind turbines (DRWTs) requires repetitive evaluations of computationally expensive partial differential equation (PDE) simulation models. Approaches for solving design optimization of DRWTs constrained by PDE simulations are investigated. The purpose of this study is to determine...
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A multithreaded CUDA and OpenMP based power‐aware programming framework for multi‐node GPU systems
PublicationIn the paper, we have proposed a framework that allows programming a parallel application for a multi-node system, with one or more GPUs per node, using an OpenMP+extended CUDA API. OpenMP is used for launching threads responsible for management of particular GPUs and extended CUDA calls allow to manage CUDA objects, data and launch kernels. The framework hides inter-node MPI communication from the programmer who can benefit from...
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Assessment of under power ed propulsion machinery in electrically driven small inland waterway passenger ships from classification society point of view
PublicationPaper presents short operat ional a nd engineering analysis of underpowered propulsion in small electrically propelled small inland passenger ships. There is evidence that in certain weather conditions the phenomena of added aerodynamic resistance of small water crafts may have seriou s influence on their speed and manoeuvrability. Existing regulations like class societies rules for ship classification and construction or EU Directive 2006/87/EC do...
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EFFICIENCY OF GAS MIXTURES DETECTION BY RESISTIVE GAS SENSORS
PublicationResistive gas sensors are very popular and are commonly used to detect various gases and their mixtures. Their main disadvantage is very limited selectivity. Practical use of gas sensors in environmental applications (e.g., in sewage systems to protect workers, in air conditioning systems to monitor atmosphere quality) requires determination of concentration of a few mixed gases at the same time. We would like to present recent...
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ASSESSMENT OF UNDERPOWER ED PROPULSION MACHINERY IN ELECTRICALLY DRIVEN SMALL INLAND WATERWAY PASSENGER SHIPS FROM CLASSIFICATION SOCIETY POINT OF View
PublicationPaper presents short operat ional a nd engineering analysis of underpowered propulsion in small electrically propelled small inland passenger ships. There is evidence that in certain weather conditions the phenomena of added aerodynamic resistance of small water crafts may have serious influence on their speed and manoeuvrability. Existing regulations like class societies rules for ship classification and construction or EU Directive 2006/87/EC do...
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Static and dynamic concrete calculations: Breakable aggregates in DEM model
PublicationThe paper deals with the calculations of a 3-point bending beam under static and dynamic loads. The real microstructure was obtained from laboratory tests using micro-tomography images. The quasi-static results were compared directly with experimental data at both macro and micro levels. Subsequently, higher strain rates were applied to investigate dynamic effects. The study focused on the influence of dynamic loading on the macroscopic...
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Single and Dual-GPU Generalized Sparse Eigenvalue Solvers for Finding a Few Low-Order Resonances of a Microwave Cavity Using the Finite-Element Method
PublicationThis paper presents two fast generalized eigenvalue solvers for sparse symmetric matrices that arise when electromagnetic cavity resonances are investigated using the higher-order finite element method (FEM). To find a few loworder resonances, the locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm with null-space deflation is applied. The computations are expedited by using one or two graphical processing...
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On deterministic procedures for low-cost multi-objective design optimization of miniaturized impedance matching transformers
PublicationPurpose This paper aims to investigate deterministic strategies for low-cost multi-objective design optimization of compact microwave structures, specifically, impedance matching transformers. The considered methods involve surrogate modeling techniques and variable-fidelity electromagnetic (EM) simulations. In contrary to majority of conventional approaches, they do not rely on population-based metaheuristics, which permit lowering...
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Efficient Analysis of Noise Induced in Low-Voltage Installations Placed Inside Buildings with Lightning Protection Systems
PublicationThis paper describes an efficient approach to the broadband analysis of lightning protection systems (LPSs) using the method of moments (MoM) implemented in the frequency domain. The adaptive frequency sampling (AFS) algorithm, based on a rational interpolation of the relevant observable (e.g., voltage, current, electric or magnetic field) which describes the properties of the LPS, is employed to reduce the number of samples computed...
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Basic sensitivity analysis of a telecommunication tower complementing standard reinforcement design process
PublicationThis paper presents straightforward sensitivity assessment of a telecommunication tower. The analysis is set toidentify the elements of the tower which may be reinforced with the greatest structural advantage. As current expertopin ions on structural redesign of similar structures due to a planned addition of extra loads are mainly based ondeterministic computations or engineering intuition,...
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Hybrid quantum-classical approach for atomistic simulation of metallic systems
PublicationThe learn-on-the-fly (LOTF) method [G. Csanyi et al., Phys. Rev. Lett. 93, 175503 (2004)] serves to seamlessly embed quantum-mechanical computations within a molecular-dynamics framework by continual local retuning of the potential's parameters so that it reproduces the quantum-mechanical forces. In its current formulation, it is suitable for systems where the interaction is short-ranged, such as covalently bonded semiconductors....
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Implementation of FDTD-compatible Green's function on heterogeneous CPU-GPU parallel processing system
PublicationThis paper presents an implementation of the FDTD-compatible Green's function on a heterogeneous parallel processing system. The developed implementation simultaneously utilizes computational power of the central processing unit (CPU) and the graphics processing unit (GPU) to the computational tasks best suited to each architecture. Recently, closed-form expression for this discrete Green's function (DGF) was derived, which facilitates...
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The impact of the AC922 Architecture on Performance of Deep Neural Network Training
PublicationPractical deep learning applications require more and more computing power. New computing architectures emerge, specifically designed for the artificial intelligence applications, including the IBM Power System AC922. In this paper we confront an AC922 (8335-GTG) server equipped with 4 NVIDIA Volta V100 GPUs with selected deep neural network training applications, including four convolutional and one recurrent model. We report...
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Modelling study of flow boiling heat transfer of perspective fluids for refrigeration technology
PublicationThere is a gap of knowledge on flow boiling at high saturation temperatures and higher values of reduced pressure. Thus far, the in-house developed semi-empirical model for flow boiling and flow condensation showed a satisfactory accuracy for calculations for various refrigeration fluids for a wide scope of reduced pressures. This study presents results of calculations of heat transfer coefficient of perspective refrigeration fluids,...
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Effects of Bromine Doping on the Structural Properties and Band Gap of CH3NH3Pb(I1–xBrx)3 Perovskite
PublicationAn experimental and theoretical study is reported to investigate the influence of bromine doping on CH3NH3Pb(I1−xBrx)3 perovskite for Br compositions ranging from x = 0 to x = 0.1, in which the material remains in the tetragonal phase. The experimental band gap is deduced from UV−vis absorption spectroscopy and displays a linear behavior as a function of bromine concentration. Density functional theory calculations are performed...
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Bone healing under different lay‐up configuration of carbon fiber‐reinforced PEEK composite plates
PublicationSecondary healing of fractured bones requires an application of an appropriate fixa-tor. In general, steel or titanium devices are used mostly. However, in recent years,composite structures arise as an attractive alternative due to high strength to weightratio and other advantages like, for example, radiolucency. According to Food andDrug Administration (FDA), the only unidirectionally reinforced composite allowed tobe implanted...
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Gender approaches to evolutionary multi-objective optimization using pre-selection of criteria
PublicationA novel idea to perform evolutionary computations (ECs) for solving highly dimensional multi-objective optimization (MOO) problems is proposed. Following the general idea of evolution, it is proposed that information about gender is used to distinguish between various groups of objectives and identify the (aggregate) nature of optimality of individuals (solutions). This identification is drawn out of the fitness of individuals...
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KernelHive: a new workflow-based framework for multilevel high performance computing using clusters and workstations with CPUs and GPUs
PublicationThe paper presents a new open-source framework called KernelHive for multilevel parallelization of computations among various clusters, cluster nodes, and finally, among both CPUs and GPUs for a particular application. An application is modeled as an acyclic directed graph with a possibility to run nodes in parallel and automatic expansion of nodes (called node unrolling) depending on the number of computation units available....
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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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Correlation–polarization effects in electron/positron scattering from acetylene: A comparison of computational models
PublicationDifferent computational methods are employed to evaluate elastic (rotationally summed) integral and differential cross sections for low energy (below about 10 eV) positron scattering off gas-phase C2H2 molecules. The computations are carried out at the static and static-plus-polarization levels for describing the interaction forces and the correlation–polarization contributions are found to be an essential component for the correct...
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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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Collision Strengths of Astrophysical Interest for Multiply Charged Ions
PublicationThe electron impact excitation and ionization processes are crucial for modeling the spectra of different astrophysical objects, from atmospheres of late-type stars to remnants of supernovae and up to the light emission from neutron star mergers, to name just a few. Despite their signifi- cance, however, little is known quantitatively about these processes for low- and medium-impact energies of, say, Ekin . 5000 eV of the free...
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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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Deformable model of a butterfly in motion on the example of Attacus atlas
PublicationInsect wings can undergo significant chordwise (camber) as well as spanwise (twist) deformation during flapping flight but the effect of these deformations is not well understood. The shape and size of butterfly wings leads to particularly large wing deformations, making them an ideal test case for investigation of these effects. High-speed videogrammetry was used to capture the wing kinematics and deformations. The movements of...
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Linking optical and electronic properties to photoresponse of heterojunctions based on titania nanotubes and chromium, molybdenum, and tungsten oxides
PublicationThe development of photosensitization strategies for titanium dioxide is necessary for the enhancement of its optical and electronic properties towards its application potential in solar photoelectrochemistry. In this work, significant differences in the photosensitizing capability of the 6th group transition metal oxides applied on the surface of titania nanotubes are reported. For the first time, correlations between the experimentally...
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A high-accuracy method of computation of x-ray waves propagation through an optical system consisting of many lenses
PublicationThe propagation of X-ray waves through an optical system consisting of many X-ray refractive lenses is considered. Two differential equations are contemplated for solving the problem for electromagnetic wave propagation: first – an equation for the electric field, second – an equation derived for a complex phase of an electric field. Both equations are solved by the use of a finite-difference method. The simulation error is estimated...
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Underfrequency Load Shedding: An Innovative Algorithm Based on Fuzzy Logic
PublicationIn contemporary power systems, the load shedding schemes are typically based on disconnecting a pre-specified amount of load after the frequency drops below a predetermined value. The actual conditions at the time of disturbance may largely dier from the assumptions, which can lead to non-optimal or ineective operation of the load shedding scheme. For many years, increasing the eectiveness of the underfrequency load shedding (UFLS)...
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Effective method for determining environmental loads on supporting structures for offshore wind turbines
PublicationThis paper presents a description of an effective method for determining loads due to waves, current and wind acting on the supporting structures of the offshore wind turbines. This method is dedicated to the structures consisting of the cylindrical or conical elements as well as (truncates) pyramids of polygon with a large number of sides (8 or more). The presented computational method is based on the Morison equation, which was...
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Effective method for determining environmental loads on supporting structures for offshore wind turbines
PublicationThis paper presents a description of an effective method for determining loads due to waves and current acting on the supporting structures of the offshore wind turbines. This method is dedicated to the structures consisting of the cylindrical or conical elements as well as (truncates) pyramids of polygon with a large number of sides (8 or more). The presented computational method is based on the Morison equation, which was originally...
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Solubility Characteristics of Acetaminophen and Phenacetin in Binary Mixtures of Aqueous Organic Solvents: Experimental and Deep Machine Learning Screening of Green Dissolution Media
PublicationThe solubility of active pharmaceutical ingredients is a mandatory physicochemical characteristic in pharmaceutical practice. However, the number of potential solvents and their mixtures prevents direct measurements of all possible combinations for finding environmentally friendly, operational and cost-effective solubilizers. That is why support from theoretical screening seems to be valuable. Here, a collection of acetaminophen...
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On the origin of surface imposed anisotropic growth of salicylic and acetylsalicylic acids crystals during droplet evaporation
PublicationIn this paper droplet evaporative crystallization of salicylic acid (SA) and acetylsalicylic acid (ASA) crystals on different surfaces, such as glass, polyvinyl alcohol (PVA), and paraffin was studied. The obtained crystals were analyzed using powder X-ray diffraction (PXRD) technique. In order to better understand the effect of the surface on evaporative crystallization, crystals deposited on glass were scraped off. Moreover,...
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Studies on the solid-liquid equilibria and intermolecular interactions Urea binary mixtures with Sulfanilamide and Sulfacetamide
PublicationThe binary phase diagrams of Sulfanilamide-Urea (SN-U) and Sulfacetamide-Urea (SC-U) were measured using differential scanning calorimetry technique (DSC). Both examined mixtures were found to form simple binary eutectics. The limited miscibility in the solid state observed by DSC, proving inability of co-crystallization in new multi-molecular form, was also confirmed using PXRD and FTIR-ATR measurements of solid dispersions...
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Exploring the Solubility Limits of Edaravone in Neat Solvents and Binary Mixtures: Experimental and Machine Learning Study
PublicationThis study explores the edaravone solubility space encompassing both neat and binary dissolution media. Efforts were made to reveal the inherent concentration limits of common pure and mixed solvents. For this purpose, the published solubility data of the title drug were scrupulously inspected and cured, which made the dataset consistent and coherent. However, the lack of some important types of solvents in the collection called...
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Embodying Intelligence in Autonomous Systems with the Use of Cognitive Psychology and Motivation Theories
PublicationThe article discusses, on a certain level of abstraction and generalization, a coherent anthropological approach to the issue of controlling autonomous robots or agents. A contemporary idea can be based on appropriate modeling of the human mind using the available psychological knowledge. One of the main reasons for developing such projects is the lack of available and effective top-down approaches resulting from the known research...
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Electromagnetic Control and Dynamics of Generalized Burgers’ Nanoliquid Flow Containing Motile Microorganisms with Cattaneo–Christov Relations: Galerkin Finite Element Mechanism
PublicationIn our research work, we have developed a model describing the characteristics of the bio-convection and moving microorganisms in the flows of a magnetized generalized Burgers’ nanoliquid with Fourier’s and Fick’s laws in a stretchable sheet. Considerations have been made to Cattaneo–Christov mass and heat diffusion theory. According to the Cattaneo–Christov relation, the Buongiorno phenomenon for the motion of a nanoliquid in...
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Embodying Intelligence in Autonomous and Robotic Systems with the Use of Cognitive Psychology and Motivation Theories
PublicationThe article discusses, on a certain level of abstraction and generalization, a coherent anthropological approach to the issue of controlling autonomous robots or agents. A contemporary idea can be based on appropriate modeling of the human mind using the available psychological knowledge. One of the main reasons for developing such projects is the lack of available and effective top-down approaches resulting from the known research...
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Parallel Programming for Modern High Performance Computing Systems
PublicationIn view of the growing presence and popularity of multicore and manycore processors, accelerators, and coprocessors, as well as clusters using such computing devices, the development of efficient parallel applications has become a key challenge to be able to exploit the performance of such systems. This book covers the scope of parallel programming for modern high performance computing systems. It first discusses selected and...
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A GPU Solver for Sparse Generalized Eigenvalue Problems with Symmetric Complex-Valued Matrices Obtained Using Higher-Order FEM
PublicationThe paper discusses a fast implementation of the stabilized locally optimal block preconditioned conjugate gradient (sLOBPCG) method, using a hierarchical multilevel preconditioner to solve nonHermitian sparse generalized eigenvalue problems with large symmetric complex-valued matrices obtained using the higher-order finite-element method (FEM), applied to the analysis of a microwave resonator. The resonant frequencies of the low-order...
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MERPSYS: An environment for simulation of parallel application execution on large scale HPC systems
PublicationIn this paper we present a new environment called MERPSYS that allows simulation of parallel application execution time on cluster-based systems. The environment offers a modeling application using the Java language extended with methods representing message passing type communication routines. It also offers a graphical interface for building a system model that incorporates various hardware components such as CPUs, GPUs, interconnects...
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Parallelization of large vector similarity computations in a hybrid CPU+GPU environment
PublicationThe paper presents design, implementation and tuning of a hybrid parallel OpenMP+CUDA code for computation of similarity between pairs of a large number of multidimensional vectors. The problem has a wide range of applications, and consequently its optimization is of high importance, especially on currently widespread hybrid CPU+GPU systems targeted in the paper. The following are presented and tested for computation of all vector...
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Implementation of Addition and Subtraction Operations in Multiple Precision Arithmetic
PublicationIn this paper, we present a digital circuit of arithmetic unit implementing addition and subtraction operations in multiple-precision arithmetic (MPA). This adder-subtractor unit is a part of MPA coprocessor supporting and offloading the central processing unit (CPU) in computations requiring precision higher than 32/64 bits. Although addition and subtraction operations of two n-digit numbers require O(n) operations, the efficient...
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Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning
PublicationTheophylline, a typical representative of active pharmaceutical ingredients, was selected to study the characteristics of experimental and theoretical solubility measured at 25 °C in a broad range of solvents, including neat, binary mixtures and ternary natural deep eutectics (NADES) prepared with choline chloride, polyols and water. There was a strong synergistic effect of organic solvents mixed with water, and among the experimentally...
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Bringing Bathymetry LiDAR to Coastal Zone Assessment: A Case Study in the Southern Baltic
PublicationOne of the major tasks in environmental protection is monitoring the coast for negative impacts due to climate change and anthropopressure. Remote sensing techniques are often used in studies of impact assessment. Topographic and bathymetric procedures are treated as separate measurement methods, while methods that combine coastal zone analysis with underwater impacts are rarely used in geotechnical analyses. This study presents...
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Parallel multithread computing for spectroscopic analysis in optical coherence tomography
PublicationSpectroscopic Optical Coherence Tomography (SOCT) is an extension of Optical Coherence Tomography (OCT). It allows gathering spectroscopic information from individual scattering points inside the sample. It is based on time-frequency analysis of interferometric signals. Such analysis requires calculating hundreds of Fourier transforms while performing a single A-scan. Additionally, further processing of acquired spectroscopic information...
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Screening stability, thermochemistry, and chemical kinetics of 3-hydroxybutanoic acid as a bifunctional biodiesel additive
PublicationThe thermo-kinetic aspects of 3-hydroxybutyric acid (3-HBA) pyrolysis in the gas phase were investigated using density functional theory (DFT), specifically the M06-2X theoretical level in conjunction with the cc-pVTZ basis set. The obtained data were compared with benchmark CBS-QB3 results. The degradation mechanism was divided into 16 pathways, comprising 6 complex fissions and 10 barrierless reactions. Energy profiles were calculated...
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Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
PublicationMolecular physics plays a pivotal role in various fields, including medicine, pharmaceuticals, and broader industrial applications. This study aims to enhance the methods for producing specific optically active materials with distinct spectroscopic properties at the molecular level, which are crucial for these sectors, while prioritizing human safety in both production and application. Forensic science, a significant socio-economic...
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Path integrals formulations leading to propagator evaluation for coupled linear physics in large geometric models
PublicationReformulating linear physics using second kind Fredholm equations is very standard practice. One of the straightforward consequences is that the resulting integrals can be expanded (when the Neumann expansion converges) and probabilized, leading to path statistics and Monte Carlo estimations. An essential feature of these algorithms is that they also allow to estimate propagators for all types of sources, including initial conditions....