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Szacowanie wartości niemierzonych dla celów sterowania predykcyjnego
PublicationEfektywne sterowanie zintegrowanym systemem ściekowym za pomocą zaawansowanych technologii sterowania - w tym przypadku technologii krzepkiego sterowania predykcyjnego (ang. Robust Model Predictive Control - RMPC) - ma na celu utrzymanie wysokiej technologicznej wydajności systemu przy relatywnie niskich kosztach jego prowadzenia oraz zapewnienie, że zostaną spełnione organiczenia związane z jakością oczyszczonych ścieków.
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Od modelowania, przez symulację do sterowania
PublicationPosiadanie i umiejętne wykorzystanie modeli elementów systemów oraz środowisk symulacyjnych ''obudowanych'' odpowiednimi zaawansowanymi algorytmami sterowania może zapewnić wysoką technologiczną wydajność modelowanych systemów przy ponoszeniu relatywnie niskich kosztów ekonomicznych i środowiskowych.
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New pathways for functionalization of phosphorus ligands
PublicationThe presented dissertation consistsof two main partsand focuses on the synthesis and characterization of new low-valent phosphorus compounds. Thesestudies have already been fully described in three JCR-journals. The first partdescribes the utilization ofselectedphosphanylphosphinidene transition metal complexes as a source of diversified phosphorus ligands. For thispurposethree complexes...
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Effect of Aromatic System Expansion on Crystal Structures of 1,2,5-Thia- and 1,2,5-Selenadiazoles and Their Quaternary Salts: Synthesis, Structure, and Spectroscopic Properties
PublicationRational manipulation of secondary bonding interactions is a crucial factor in the construction of new chalcogenadiazole-based materials. This article reports detailed experimental studies on phenanthro[9,10-c][1,2,5]chalcogenadiazolium and 2,1,3-benzochalcogenadiazolium salts and their precursors. The compounds were synthesized, characterized employing NMR and UV-Vis spectroscopy. TD-DFT calculations were also performed. The influence...
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DMSO hydration redefined: Unraveling the hydrophobic hydration of solutes with a mixed hydrophilic–hydrophobic characteristic
PublicationHydrophobic hydration of solutes with a mixed hydrophilic--hydrophobic characteristics is still poorly understood. This is because both experimental and theoretical methods find it difficult to see the ice-like water structure around the nonpolar solute groups, unlike hydrogen bonds with the hydrophilic groups. In order to unravel this problem, we have investigated DMSO hydration by means of infrared spectroscopy and theoretical...
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Toward Mechanosynthesis of Diamondoid Structures: X. Commercial Capped CNT SPM Tip as Nowadays Available C2 Dimer Placement Tool for Tip-Based Nanofabrication
PublicationAccording to Drexler, advanced mechanosynthesis will employ advanced nano-machines, but advanced nano-machines will themselves be products of advanced mechanosynthesis. This circular relationship must be broken via TBN technology development. In this article, the possibility of using easily available commercial CNT tips to assemble carbon-based intermediate generations of nano-devices is considered. Mechanosynthesis of a target...
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Studies on the formation of formaldehyde during 2-ethylhexyl 4-(dimethylamino)benzoate demethylation in the presence of reactive oxygen and chlorine species
PublicationIn order to protect the skin from UV radiation, personal care products (PCPS) often contain chemical UV-filters. These compounds can enter the environment causing serious consequences on the water ecosystems. The aim of this study was to examine, the effect of different factors, such as UV light, the presence of NaOCl and H2O2 on the formaldehyde formation during popular UV filter, 2-ethylhexyl 4-(dimethylamino)benzoate (ODPABA)...
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Scattering of electrons by a 1,2-butadiene (C4H6) molecule: measurements and calculations
PublicationWe present the results of experimental and theoretical study on electron collisions with a 1,2-butadiene (H2C=C=CHCH3) molecule. Absolute grand-total cross sections (TCSs) were measured using a linear electron-transmission method for collision energies in the 0.5–300 eV range. Two distinct features in the TCS energy curve were detected: a narrow peak located at 2.3 eV and a broad enhancement centered around 9 eV. We attributed...
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Syntheses and Structures of Transition Metal Complexes with Phosphanylphosphinidene Chalcogenide Ligands
PublicationThe reactivity of the phosphanylphosphinidene complex [(DippN)2W(Cl)(η2-P-PtBu2)]− (1) toward chalcogens (Ch = Se, S) was studied. Reactions of stoichiometric amounts of 1 with chalcogens in DME yielded monomeric tungsten complexes with phosphanylphosphinidene chalcogenide ligands of the formula tBu2P−P−Ch (Ch = Se (in 2) and S (in 5)), which can be regarded as products of the addition of a chalcogen atom to a P=W bond in starting...
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Transparent nanocomposite coatings based on epoxy and layered double hydroxide: Nonisothermal cure kinetics and viscoelastic behavior assessments
PublicationLayered double hydroxide (LDH) has a particular place in clay family because of its flame retardant action. The nanoplatelet-like structure of LDH makes possible development of polymer composites with cationic or anionic nature structures in which macromolecules are positioned in between nanoplatelet galleries. In this work, neat epoxy and its transparent nanocomposite coatings with sodium dodecylbenzene sulfonate (SDBS)-modified...
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Low to intermediate energy elastic electron scattering from dichloromethane (CH2Cl2)
PublicationWe report a theoretical-experimental investigation of electron scattering by dichloromethane (CH2Cl2) in the low- and intermediate energy ranges. Experimental elastic differential cross sections (DCS), in the incident electron energy range of 0.5-800 eV and scattering angle range of 10°–130°, were measured using a crossed beam relative flow technique. Integral and momentum- transfer cross sections were determined from the experimental...
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Electron scattering from 2-methyl–1,3-butadiene,C5H8, molecules: Role of methylation
PublicationWe report cross-section results from experimental and theoretical investigations into electron collisions with the 2-methyl–1,3-butadiene [C5H8] molecule. The current results are compared with our previous results for the 1,3-butadiene [C4H6] molecule, a structural homologue of 2-methyl–1,3-butadiene, to investigate how the methylation (the substitution of hydrogen atom by a methyl group) affects the shape and/or magnitude of the...
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TINKTEP: A fully self-consistent, mutually polarizable QM/MM approach based on the AMOEBA force field
PublicationWe present a novel quantum mechanical/molecular mechanics (QM/MM) approach in which a quantum subsystem is coupled to a classical subsystem described by the AMOEBA polarizable force field. Our approach permits mutual polarization between the QM and MM subsystems, effected through multipolar electrostatics. Self-consistency is achieved for both the QM and MM subsystems through a total energy minimization scheme. We provide an expression...
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Unraveling the Interplay between DNA and Proteins: A Computational Exploration of Sequence and Structure-Specific Recognition Mechanisms
PublicationMy PhD dissertation focused on DNA-protein interactions and the recognition of specific DNA sequences and structures. I discovered that acidic amino acid residues (Asp/Glu) play a crucial role by exhibiting a preference for cytosine. Their contribution to binding affinity depends on nearby cytosines, balancing electrostatic repulsion with specific interactions. Acidic residues act as negative selectors, discouraging non-cytosine...
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Molecular mechanism and energetics of coupling between substrate binding and product release in the F 1 -ATPase catalytic cycle
PublicationF1-ATPase is a motor protein that couples the rotation of its rotary γ subunit with ATP synthesis or hydrolysis. Single-molecule experiments indicate that nucleotide binding and release events occur almost simultaneously during the synthesis cycle, allowing the energy gain due to spontaneous binding of ADP to one catalytic β subunit to be directly harnessed for driving the release of ATP from another rather than being dissipated...
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Non-ergodic fragmentation upon collision-induced activation of cysteine–water cluster cations
PublicationCysteine–water cluster cations Cys(H2O)3,6 + and Cys(H2O)3,6H+ are assembled in He droplets and probed by tandem mass spectrometry with collision-induced activation. Benchmark experimental data for this biologically important system are complemented with theory to elucidate the details of the collisioninduced activation process. Experimental energy thresholds for successive release of water are compared to water dissociation energies...
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Triplet Formation and Triplet‐Triplet Annihilation Upconversion in Iodine Substituted Non‐Orthogonal BODIPY‐Perylene Dyads
PublicationBODIPY-perylene dyads have emerged as useful metal free sensitizers for triplet-triplet annihilation upconversion (TTAUC), these dyads are capable of efficient triplet generation via spinorbit charge transfer intersystem crossing (SOCT-ISC). This important route to triplet formation requires dyads in which two moieties are oriented perpendicular to each other. In this contribution, we give a deeper insight on the behavior of recently...
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Computational analysis of substituent effects on proton affinity and gas-phase basicity of TEMPO derivatives and their hydrogen bonding interactions with water molecules
PublicationThe study investigates the molecular structure of 2,2,6,6-tetramethylpiperidine-1-oxyl (TEMPO) and its derivatives in the gas phase using B3LYP and M06-2X functional methods. Intermolecular interactions are analyzed using natural bond orbital (NBO) and atoms in molecules (AIM) techniques. NO2-substituted TEMPO displays high reactivity, less stability, and softer properties. The study reveals that the stability of TEMPO derivatives...
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Polaronic and Mott insulating phase of layered magnetic vanadium trihalide VCl3
PublicationTwo-dimensional (2D) van der Waals (vdW) magnetic 3d-transition metal trihalides are a new class of functional materials showing exotic physical properties useful for spintronic and memory storage applications. In this article, we report the synthesis and electromagnetic characterization of single-crystalline vanadium trichloride, VCl 3 , a novel 2D layered vdW Mott insulator, which has a rhombohedral structure (R3, No. 148) at...
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Applying the four-capital model to the assessment of regional development in the Lubuskie region of Poland
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Physics-Based Potentials for the Coupling between Backbone- and Side-Chain-Local Conformational States in the United Residue (UNRES) Force Field for Protein Simulations
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Contribution of Strength, Speed and Power Characteristics to Change of Direction Performance in Male Basketball Players
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Design and Utility of Specialist Comminution Set-Up for Plastics and Organic Materials
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A study of operating parameters of a roller mill with a new design
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GPU-Accelerated LOBPCG Method with Inexact Null-Space Filtering for Solving Generalized Eigenvalue Problems in Computational Electromagnetics Analysis with Higher-Order FEM
PublicationThis paper presents a GPU-accelerated implementation of the Locally Optimal Block Preconditioned Conjugate Gradient (LOBPCG) method with an inexact nullspace filtering approach to find eigenvalues in electromagnetics analysis with higherorder FEM. The performance of the proposed approach is verified using the Kepler (Tesla K40c) graphics accelerator, and is compared to the performance of the implementation based on functions from...
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GPU-Accelerated 3D Mesh Deformation for Optimization Based on the Finite Element Method
PublicationThis paper discusses a strategy for speeding up the mesh deformation process in the design-byoptimization of high-frequency components involving electromagnetic field simulations using the 3D finite element method (FEM). The mesh deformation is assumed to be described by a linear elasticity model of a rigid body; therefore, each time the shape of the device is changed, an auxiliary elasticity finite-element problem must be solved....
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Multi-core and Multiprocessor Implementation of Numerical Integration in Finite Element Method
PublicationThe paper presents techniques for accelerating a numerical integration process which appears in the Finite Element Method. The acceleration is achieved by taking advantages of multi-core and multiprocessor devices. It is shown that using multi-core implementation with OpenMP and a GPU acceleration using CUDA architecture allows one to achieve the speedups by a factor of 5 and 10 on a CPU and GPUs, respectively.
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Zastosowania elektroencefalograficznych interfejsów mózg-komputer do diagnozy i stymulacji osób po urazach mózgu
PublicationPrzeanalizowano i opisano nowe rozwiązania kasków EEG, dostępne w laboratorium Katedry Systemów Multimedialnych Politechniki Gdańskiej. Opisano koncepcje prowadzenia z ich użyciem testów diagnostycznych i sesji terapeutycznych, polegających na stymulacji polisensorycznej, z podkreśleniem roli tego typu metod w ocenie świadomości stanu pacjentów pourazowych i usprawniania komunikacji osobami po urazach mózgu. Przedstawiono także...
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Real-Time Gastrointestinal Tract Video Analysis on a Cluster Supercomputer
PublicationThe article presents a novel approach to medical video data analysis and recognition. Emphasis has been put on adapting existing algorithms detecting le- sions and bleedings for real time usage in a medical doctor's office during an en- doscopic examination. A system for diagnosis recommendation and disease detec- tion has been designed taking into account the limited mobility of the endoscope and the doctor's requirements. The...
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Konstrukcja bazy danych dla systemu wspomagania diagnostyki chorób przewodu pokarmowego
PublicationW artykule krótko przedstawiono charakterystykę procesu diagnostyki chorób przewodu pokarmowego oraz istniejące techniki wspomagania go na bazie analizy zdjęć z badań endoskopowych. Szczegółowo opisano proces tworzenia specjalistycznej bazy danych medycznych, której przeznaczeniem jest wspomaganie procesu uczenia klasyfikatorów chorób przewodu pokarmowego. Na koniec przedstawiono zebrane w bazie dane oraz uzyskane efekty.
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The Impact of Hybrid Flame Retardant Compositions on the Performance of Foamed Flexible Polyurethane/Ground Tire Rubber Composites
PublicationCurrent sustainability-oriented trends affect polyurethane (PU) materials and stimulate the incorporation of recycled or waste-based materials as fillers. Ground tire rubber (GTR) poses as an auspicious candidate due to the excellent performance of car tires. Despite the benefits related to the mechanical performance, it contributes to the increasing flammability of the resulting composites. Herein, presented work assessed the...
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The Impact of Isocyanate Index and Filler Functionalities on the Performance of Flexible Foamed Polyurethane/Ground Tire Rubber Composites
PublicationThe structure and performance of polyurethane (PU) foams are strongly driven by the stoichiometry of the polyaddition reaction, quantitatively described by the isocyanate index. It determines the balance between isocyanate and hydroxyl groups in the reacting system and is affected by the introduction of additional functionalities originated, e.g., from applied fillers. Nevertheless, this issue is hardly taken into account in research...
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Experimental investigations and damage growth modeling of EN‐AW 2024 aluminum alloy under LCF loading accounting creep pre‐deformation
PublicationThis article presents the results of experimental tests of creep rupture and of low-cycle fatigue (LCF) of EN-AW 2024 aluminum alloy devoid of damage and having preliminary damage. The preliminary damage was dealt in the process of creep at elevated temperature 100C, 200C, and 300C until achievement of two different strain values at each temperature. Samples with preliminary damage were subjected to fatigue tests at room temperature....
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Active Control of Highly Autocorrelated Machinery Noise in Multivariate Nonminimum Phase Systems
PublicationIn this paper, a novel multivariate active noise control scheme, designed to attenuate disturbances with high autocorrelation characteristics and preserve background signals, is proposed. The algorithm belongs to the class of feedback controllers and, unlike the popular feedforward FX-LMS approach, does not require availability of a reference signal. The proposed approach draws its inspiration from the iterative learning control...
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A Control Theoretical Approach to Spectral Factorization is Unstable
PublicationLocal stability analysis of a recently proposed recursive feedback-based approach to spectral factorization is performed. The method is found not to give stability guarantees. Interestingly enough, its global behavior often allows one to obtain reasonable approximations of spectral factorizations if a suitable stopping criterion is employed.
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Iterative learning approach to active noise control of highly autocorrelated signals with applications to machinery noise
PublicationThis paper discusses the design and application of iterative learning control (ILC) and repetitive control (RC) for high modal density systems. Typical examples of these systems are structural and acoustical systems considered in active structural acoustic control (ASAC) and active noise control (ANC) applications. The application of traditional ILC and RC design techniques, which are based on a parametric system model, on systems...
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Reshaping financial systems: The role of ICT in the diffusion of financial innovations – Recent evidence from European countries
PublicationExchange-traded funds (ETFs) are among the fastest-growing types of innovative financial products. The emergence and spread of these instruments have been facilitated by the digital revolution. Information and communication technology (ICT) is profoundly reshaping the global economic landscape, laying solid foundations for unrestricted and unbounded flows of information and knowledge, eliminating information asymmetries, and furthering...
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The Proposition of an Automated Honing Cell with Advanced Monitoring
PublicationHoning of holes allows for small shape deviation and a low value of a roughness profile parameter, e.g., Ra parameter. The honing process heats the workpiece and raises its temperature. The increase in temperature causes thermal deformations of the honed holes. The article proposes the construction of a honing cell, containing in addition to CNC honing machine: thermographic camera, sound intensity meter, and software for collecting...
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The influence of the basic conditions of the forced feed of abrasive compound on the roughness of flat ceramic elements after lapping.
PublicationW docieraniu standardowym zawiesina ścierna dostarczana jest do strefy obróbki w sposób ciągły - zalewowo lub kroplowo, co generuje duże straty ścierniwa. W artykule opisano innowacyjny system dozowania i nanoszenia zawiesiny ściernej na powierzchnię żeliwnego docieraka tarczowego, który eliminuje tą wadę. W przeprowadzonych eksperymentach badano wpływ procentowej zawartości ziaren ściernych w nośniku oraz wielkość dawki zawiesiny...
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Automatyzacja procesów produkcji spiekanych kompozytów diamentowo-metalowych.
PublicationPrzedstawiono technologie produkcji narzędzi diamentowych o spoiwach metalowych spiekanych. Na podstawie własnych doświadczeń oraz kontaktów z wytwórcami takich narzędzi i firmami oferującymi urządzenia do ich produkcji dokonano przeglądu stosowanych technologii wytwarzania pod katem ich automatyzacji.
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Impact of the Alkyl Side Chains of Cations and Anions on the Activity and Renaturation of Lysozyme: A Systematic Study Performed Using Six Amino‐Acid‐Based Ionic Liquids
PublicationThe impact of the structure of ionic liquid on the activity and renaturation of lysozyme from the hen egg white (HEWL) was investigated. A set of six ionic liquids based on morpholinium cation and N-acylated amino acids as anions were exploited. The matrix used was based on two homologous series: one with N-acetyl-L-valinate [Val] as a common anion and morpholinium cation with a different number of carbon atoms in the n-alkyl chain...
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Tests for lapping of flat surfaces of ceramic elements with forced dosing of abrasive slurry
PublicationPrzedstawiono zagadnienia dotyczące systemu wymuszonego dawkowania zawiesiny ściernej w docieraniu jednotarczowym powierzchni płaskich. Opisano zalety takiego systemu dozowania płynnej zawiesiny ściernej. Omówiono wybrane wyniki badań docierania elementów z ceramiki technicznej. Analizowano wpływ podstawowych warunków dawkowania zawiesiny na ubytek liniowy próbek.
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ICT-driven economic and financial development. Analyses of European countries
PublicationICT-Driven Economic and Financial Development: Analyses of European Countries demonstrates the effects of ICT diffusion on economic, social and financial development by examining their impact on the structure and dynamics of national economies. It provides the insight into shifts observed in labour markets, international trade activities productivity factors, education and use of innovative financial products. It combines empirical...
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Destruction of shell structures under the dynamic load on the human skull trauma basis
PublicationThe main aim of this work is to investigate patterns of potential orbital bone fractures due to mechanical injuries. The solution of the main problem is followed by analysis of several testing examples having straight correlation with civil engineering structures, in which materials of wide range of stiffness are applied. To solve the main problem, the three-dimensional finite element method (FEM) model of the orbital region has...
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Lapping flat surfaces with forced dosing of abrasive suspension
PublicationPrzedstawiono zbudowane stanowisko do badań wymuszonego dawkowania zawiesiny ściernej w procesie jednostronnego docierania powierzchni płaskich. Podano przyjęty program badań oraz sposób opracowania wyników realizowanych eksperymentów.
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Analiza zrealizowanych systemów komunikacji wizualnych dedykowanych miastom w kontekście identyfikacji wizualnej Miasta Gdańska
PublicationNiniejsze opracowanie to raport z dokonanej analizy zrealizowanych systemów komunikacji wizualnej miast i zbadanie możliwości kształtowania, rozwoju i uspójnienia identyfikacji wizualnej marki miasta Gdańsk. Wyniki analizy mogą służyć Miastu Gdańsk jako materiał referencyjny przy ocenie obecnych opracowań własnych i prowadzeniu bieżącej komunikacji swojego wizerunku ale przede wszystkim służą jako materiał bazowy do profesjonalnej...
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Ionogel sorbent coatings for determining organophosphorus and pyrethroid insecticides in water and fresh juice samples by headspace-solid phase microextraction
PublicationThe sol–gel method yielded three different ionogel sorbent coatings that were obtained based on a silica material containing ionic liquids (ILs) immobilized in its pores. Two ILs, triethylsulfonium bis(trifluoromethylsulfonyl) imide [Set3][TFSI] and 1-butyl-1-methylpiperidinium bis(trifluoromethylsulfonyl)imide [C4C1Pip][TFSI], as well as their equimolar mixture [Set3/C4C1Pip], were used to obtain ionogel fibers. The developed...
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Reinforcement Learning Algorithm and FDTD-based Simulation Applied to Schroeder Diffuser Design Optimization
PublicationThe aim of this paper is to propose a novel approach to the algorithmic design of Schroeder acoustic diffusers employing a deep learning optimization algorithm and a fitness function based on a computer simulation of the propagation of acoustic waves. The deep learning method employed for the research is a deep policy gradient algorithm. It is used as a tool for carrying out a sequential optimization process the goal of which is...
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Equal Baseline Camera Array—Calibration, Testbed and Applications
PublicationThis paper presents research on 3D scanning by taking advantage of a camera array consisting of up to five adjacent cameras. Such an array makes it possible to make a disparity map with a higher precision than a stereo camera, however it preserves the advantages of a stereo camera such as a possibility to operate in wide range of distances and in highly illuminated areas. In an outdoor environment, the array is a competitive alternative...
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Multiuser Stereoscopic Projection Techniques for CAVE-Type Virtual Reality Systems
PublicationDespite the development of increasingly popular head mounted displays, CAVE-type systems may still be considered one of the most immersive virtual reality systems with many advantages. However, a serious limitation of most CAVE-type systems is the generation of a three-dimensional (3-D) image from the perspective of only one person. This problem is significant because in some applications, the participants must cooperate with each...