Search results for: HYBRID MATERIALS
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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
PublicationWe present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ...
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Cavitation-Based Processes for Water and Wastewater Treatment
PublicationCavitation based on advanced oxidation processes (Cav-AOPs) is interesting alternatives for already implemented wastewater treatment technologies. Destructive and strongly undesirable phenomena in the industry, i.e., cavitation, revealed to be useful in a positive manner as a source of energy for chemical reactions. During the implosion of cavitation bubbles, focused energy and resulting high temperature and pressure allows to...
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Novel composite of Zn/Ti-layered double hydroxide coupled with MXene for the efficient photocatalytic degradation of pharmaceuticals
PublicationIn the present study, a hybrid photocatalyst of Zn/Ti layered double hydroxide (LDH) coupled with MXene – Ti3C2 was synthesized for the first time and applied in photocatalytic degradation of acetaminophen and ibuprofen, two commonly present in the natural environment and prone to accumulate in the aquatic ecosystem pharmaceuticals. The effect of MXene content (0.5 wt%, 2.5 wt%, and 5 wt%) on the photocatalytic activity of LDH/MXene...
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Two-phase optimizing approach to design assessments of long distance heat transportation for CHP systems
PublicationCogeneration or Combined Heat and Power (CHP) for power plants is a method of putting to use waste heat which would be otherwise released to the environment. This allows the increase in thermodynamic efficiency of the plant and can be a source of environmental friendly heat for District Heating (DH). In the paper CHP for Nuclear Power Plant (NPP) is analyzed with the focus on heat transportation. A method for effectivity and feasibility...
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Hybrid constructed wetlands for the National Parks in Poland - a case study, requirements, dimensioning, preliminary results
PublicationWater and wastewater management, especially in rural areas, greatly affects loads of nutrients discharged to the Baltic Sea. In Poland, this management is unbalanced because of the dispersed development and in many locations con struction of sewerage system is uneconomic or even impossible. For this reason, a significant part of sewage from single-family houses in rural areas must be discharged into domestic sewage systems. The...
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Copper(I) iodide ribbons coordinated with thiourea derivatives
PublicationTwo products of the reactions of CuI with 1-benzoyl-3-(4-bromophenyl)thiourea and with 1-benzoyl-3-(2-iodophenyl)thiourea have been obtained and characterized, namely poly[[[1-benzoyl-3-(4-bromophenyl)thiourea-κS]-µ3-iodidocopper(I)] acetone hemisolvate], {[CuI(C₁₄H₁₁BrN₂OS)]‧0.5C₃H₆O}ₙ, and poly-[µ₄-iodido-µ₃-iodido-[N-(benzo[d]thiazol-2-yl)benzamide-κN]dicopper(I)], [Cu₂I₂(C₁₄H₁₀N₂OS)]ₙ. Their structures, determined by single-crystal...
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UV-Vis-Induced Degradation of Phenol over Magnetic Photocatalysts Modified with Pt, Pd, Cu and Au Nanoparticles
PublicationThe combination of TiO2 photocatalyst and magnetic oxide nanoparticles enhances the separation and recoverable properties of nanosized TiO2 photocatalyst. Metal-modified (Me = Pd, Au, Pt, Cu) TiO2/SiO2@Fe3O4 nanocomposites were prepared by an ultrasonic-assisted sol-gel method. All prepared samples were characterized by X-ray powder diffraction (XRD) analysis, Brunauer-Emmett-Teller (BET) method, X-ray photoelectron spectroscopy...
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Energy Management for PV Powered Hybrid Storage System in Electric Vehicles Using Artificial Neural Network and Aquila Optimizer Algorithm
PublicationIn an electric vehicle (EV), using more than one energy source often provides a safe ride without concerns about range. EVs are powered by photovoltaic (PV), battery, and ultracapacitor (UC) systems. The overall results of this arrangement are an increase in travel distance; a reduction in battery size; improved reaction, especially under overload; and an extension of battery life. Improved results allow the energy to be used efficiently,...
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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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Application of mechanistic and data-driven models for nitrogen removal in wastewater treatment systems
PublicationIn this dissertation, the application of mechanistic and data-driven models in nitrogen removal systems including nitrification and deammonification processes was evaluated. In particular, the influential parameters on the activity of the Nitrospira activity were assessed using response surface methodology (RSM). Various long-term biomass washout experiments were operated in two parallel sequencing batch reactor (SBR) with a different...
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Modelling and optimisation of MXene-derived TiO2/Ti3C2 synthesis parameters using Response Surface Methodology based on the Box–Behnken factorial design. Enhanced carbamazepine degradation by the Cu-modified TiO2/Ti3C2 photocatalyst
PublicationIn the present study, a hydrothermal method in a water/ethanol environment was used for the first time to obtain novel Cu/TiO2/Ti3C2 composites with high photocatalytic activity for the degradation of carbamazepine (CBZ) under simulated solar light. The Box–Behnken factorial design was coupled with Response Surface Methodology (RSM) for synthesis parameter optimisation. The effect of different synthesis parameters, including temperature, time...
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5G/6G optical fronthaul modeling: cost and energy consumption assessment
PublicationIn fifth generation (5G) and the future beyond 5G (6G) radio access networks (RANs), the cost of fronthaul deployment is a main challenge for mobile network operators. Depending on different constraints, there are various solutions to deploy an efficient fronthaul. Fiber-optic-based fronthaul offers long-term support with regard to a rapid increase in capacity demands. When fiber connections, either point-to-point (P2P) or point-to-multipoint...
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Quantum-classical calculations of the nanomechanical properties of metals
PublicationTradycyjnie symulacje komputerowe układów w skali atomowej prowadzone są przy użyciu klasycznej metody dynamiki molekularnej (MD) bądź kwantowych metod ab initio. Główną wadą ujęcia klasycznego jest jego empiryczna natura, a co za tym idzie - niewielka przenośność, jego prostota natomiast pozwala na przeprowadzanie symulacji układów zawierających miliony atomów. W wyniku zastosowania metod kwantowych otrzymuje się bardziej wiarygodne...
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Combination of hydrodynamic cavitation and SR-AOPs for simultaneous degradation of BTEX in water
PublicationHydrodynamic cavitation (HC) is an emerging technology gaining interest in water treatment for use in elimination of a wide range of organic pollutants. The energy released during cavitation phenomenon has number of applications and, particularly, it can be utilized for activation of persulfate (PS) and peroxymonosulfate (PMS). In the present study, hybrid techniques: HC combined with persulfates – HC-PS and HC-PMS were tested...
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A Comparative Study of Fuzzy SMC with Adaptive Fuzzy PID for Sensorless Speed Control of Six-Phase Induction Motor
PublicationMulti-phase motors have recently replaced three-phase induction motors in a variety of applications due to the numerous benefits they provide, and the absence of speed sensors promotes induction motors with variable speed drives. Sensorless speed control minimizes unnecessary speed encoder cost, reduces maintenance, and improves the motor drive’s reliability. The performance comparison of the fuzzy sliding mode controller (FSMC)...
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Structural, thermal and physico-mechanical properties of polyurethane/brewers’ spent grain composite foams modified with ground tire rubber
PublicationIn this work, brewers’ spent grain (BSG) and ground tire rubber (GTR) waste fillers were applied as low-cost reinforcement phase in rigid polyurethane foam (PUR). PUR/BSG/GTR composites were prepared by a single step method, using polyglycerol as partial substitute of commercially available petrochemical polyols. Foaming parameters, chemical structure, dynamic mechanical properties, thermal stability, physico-mechanical properties...
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Forced vibrations in a dynamic system that is damped by a mechanism that trans-pass through its singular position
PublicationIn the paper, vibrations of a hybrid multibody-continuous system are investigated. For all the mechanical devices, effective damping methods are crucial in the design process. To obtain it, installation of viscous dampers or elasto-viscous elements is dominant. In the paper, an alternative method is investigated. It is based on modal disparity. To describe the method briefly, when structural damping is present in continuous systems,...
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A Comparative Study of Fuzzy SMC with Adaptive Fuzzy PID for Sensorless Speed Control of Six-Phase Induction Motor
PublicationMulti-phase motors have recently replaced three-phase induction motors in a variety of applications due to the numerous benefits they provide, and the absence of speed sensors promotes induction motors with variable speed drives. Sensorless speed control minimizes unnecessary speed encoder cost, reduces maintenance, and improves the motor drive’s reliability. The performance comparison of the fuzzy sliding mode controller (FSMC)...
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Trace Metal Contamination of Bottom Sediments: A Review of Assessment Measures and Geochemical Background Determination Methods
PublicationThis paper provides an overview of different methods of assessing the trace metal (TM) contamination status of sediments affected by anthropogenic interference. The geochemical background determination methods are also described. A total of 25 papers covering rivers, lakes, and retention tanks sediments in areas subjected to anthropogenic pressure from the last three years (2019, 2020, and 2021) were analysed to support our examination...
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Complex multidisciplinary optimization of turbine blading systems
PublicationThe paper describes the methods and results of direct optimization of turbine blading systems using a software package Opti_turb. The final shape of the blading is obtained from minimizing the objective function, which is the total energy loss of the stage, including the leaving energy. The current values of the objective function are found from 3D RANS computations (from a code FlowER) of geometries changed during the process...
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Performance of electrochemical immunoassays for clinical diagnostics of SARS-CoV-2 based on selective nucleocapsid N protein detection: Boron-doped diamond, gold and glassy carbon evaluation
PublicationThe 21st century has already brought us a plethora of new threats related to viruses that emerge in humans after zoonotic transmission or drastically change their geographic distribution or prevalence. Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was first spotted at the end of 2019 to rapidly spread in southwest Asia and later cause a global pandemic, which paralyzes the world since then. We have designed novel...
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Multiplicative Long Short-Term Memory with Improved Mayfly Optimization for LULC Classification
PublicationLand Use and Land Cover (LULC) monitoring is crucial for global transformation, sustainable land control, urban planning, urban growth prediction, and the establishment of climate regulations for long-term development. Remote sensing images have become increasingly important in many environmental planning and land use surveys in recent times. LULC is evaluated in this research using the Sat 4, Sat 6, and Eurosat datasets. Various...
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Towards Hybrid Urban Mobility: Kick Scooter as a Means of Individual Transport in the City
PublicationThe characteristic feature of a contemporary city is its inconvenience and oppressiveness caused by the hitherto dominant paradigm of urban planning based on car mobility. As a result, the inhabitants have to cope with air pollution, noise, spatial barriers, sedentary lifestyle and other factors which worsen their health and quality of life. Ecological and physically activating urban mobility thus plays an increasingly important...
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Fuzzy Divisive Hierarchical Clustering of Solvents According to Their Experimentally and Theoretically Predicted Descriptors
PublicationThe present study describes a simple procedure to separate into patterns of similarity a large group of solvents, 259 in total, presented by 15 specific descriptors (experimentally found and theoretically predicted physicochemical parameters). Solvent data is usually characterized by its high variability, dierent molecular symmetry, and spatial orientation. Methods of chemometrics can usefully be used to extract and explore accurately...
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A hybrid model of flooding of the ro-ro ships in damaged conditions
PublicationThe paper presents some results on investigations concerning development of a hybrid model for assessment of performance of the ro‐ro ships in damaged conditions. The model is devoted towards assessing the performance of the damaged ro‐ro ships at the preliminary stage of design. The key problems associated with preparing of such the model are associated with working out a method of assessment of the damaged roro ships performance,...
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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Photosensitization of TiO2 and SnO2 by Artificial Self-Assembling Mimics of the Natural Chlorosomal Bacteriochlorophylls
PublicationOf all known photosynthetic organisms, the green sulfur bacteria are able to survive under the lowest illumination conditions due to highly efficient photon management and exciton transport enabled by their special organelles, the chlorosomes, which consist mainly of self-assembled bacteriochlorophyll c, d, or e molecules. A challenging task is to mimic the principle of self-assembling chromophores in artificial light-harvesting...
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Circularly Polarized Antenna Array design with the Potential of Gain-Size Trade-off and Omnidirectional Radiation for Millimeter-Wave Small Base Station Applications
PublicationThis paper presents the design and validation of a slot-patch-hybrid circularly polarized antenna array for 28 GHz millimeter (mm) wave (mm-wave) applications. The proposed design has a simple geometry that facilitates the fabrication process, which is otherwise a challenging task due to the sub-mm dimensions of the circuit in the mm-wave band. In the proposed structure, aperture-coupled series slot-fed array is utilized to excite...
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Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis
PublicationThe importance of incorporating solvent polarization effects into the modeling of solvation processes has been well-recognized, and therefore a new generation of hybrid quantum mechanics/molecular mechanics (QM/MM) approaches that accounts for this effect is desirable. We present a fully self-consistent, mutually polarizable QM/MM scheme using the AMOEBA force field, in which the total energy of the system is variationally minimized...
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Massively parallel linear-scaling Hartree–Fock exchange and hybrid exchange–correlation functionals with plane wave basis set accuracy
PublicationWe extend our linear-scaling approach for the calculation of Hartree–Fock exchange energy using localized in situ optimized orbitals [Dziedzic et al., J. Chem. Phys. 139, 214103 (2013)] to leverage massive parallelism. Our approach has been implemented in the ONETEP (Order-N Electronic Total Energy Package) density functional theory framework, which employs a basis of non-orthogonal generalized Wannier functions (NGWFs) to achieve...
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Cleaner energy for sustainable future using hybrid photovoltaics-thermoelectric generators system under non-static conditions using machine learning based control technique
PublicationIn addition to the load demand, the temperature difference between the hot and cold sides of the thermoelectric generator (TEG) module determines the output power for thermoelectric generator systems. Maximum power point tracking (MPPT) control is needed to track the optimal global power point as operating conditions change. The growing use of electricity and the decline in the use of fossil fuels have sparked interest in photovoltaic-TEG...
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Method of selecting programming practices for the safety-critical software development projects
PublicationIn recent years a plan-driven approach traditionally used in safety-critical software development has been put to a test by rapidly changing technologies, more diverse group of clients and volatile market requirements. The need to deliver good quality systems, faster and at lower cost in comparison to competitors encouraged companies to look for more efficient solutions. Agile methodologies are known to successfully address these...
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Modal Adjustment of Rayleigh Based Structural Damping and Coordinate-Partitioning Algorithm Dedicated to Frictionless Contact Constraints between Multibody System and Structure Modelled with Finite Elements
PublicationThe paper presents a dedicated numerical algorithm. The algorithm is advantageous during investigations of the dynamics of a hybrid multibody / finite-elements system. We focus our attention on interactions resulting from mechanical contact. Pointwise contact connects a vertex of the multibody structure and a surface of the elastic reference body. Instead of a positive value of the relative penetration factor, constraint equations...
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Empirical analysis of tree-based classification models for customer churn prediction
PublicationCustomer churn is a vital and reoccurring problem facing most business industries, particularly the telecommunications industry. Considering the fierce competition among telecommunications firms and the high expenses of attracting and gaining new subscribers, keeping existing loyal subscribers becomes crucial. Early prediction of disgruntled subscribers can assist telecommunications firms in identifying the reasons for churn and...
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From Scores to Predictions in Multi-Label Classification: Neural Thresholding Strategies
PublicationIn this paper, we propose a novel approach for obtaining predictions from per-class scores to improve the accuracy of multi-label classification systems. In a multi-label classification task, the expected output is a set of predicted labels per each testing sample. Typically, these predictions are calculated by implicit or explicit thresholding of per-class real-valued scores: classes with scores exceeding a given threshold value...
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Heterojunction of (P, S) co-doped g-C3N4 and 2D TiO2 for improved carbamazepine and acetaminophen photocatalytic degradation
PublicationNovel photocatalysts of phosphorus and sulfur co-doped graphitic carbon nitride incorporated in 2D TiO2 structure were successfully fabricated and applied for solar-driven degradation of emerging pollutants from the group of pharmaceuticals not susceptible to biodegradation. The hybrid photocatalysts with different loadings of (P, S)-doped g-C3N4 were characterized by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR),...
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X-ray diffraction spectra of modification of TiO2 nanotubes by graphene - strontium and cobalt molybdate perovskite
Open Research DataData show XRD results for strontium and cobalt molybdate-modified nanotubes that were also decorated with graphene oxide. The crystalline phases were characterized by X-ray diffractometer (Philips X”Pert with detector X’Celerator Scientific).
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X-ray diffraction spectra of the NiCo2O4 modified by carbon
Open Research DataThis dataset comprises XRD results for NiCo2O4 modified with carbon, varying according to the amount of carbon. In this context, the XRD data provide insights into the crystalline structure and phase composition of the NiCo2O4 material as it is modified with varying quantities of carbon. This investigation is valuable for understanding how the presence...
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Urszula Szybowska mgr
PeopleLibrarian and English philologist, currently involved in academic library services and training of Polish and international users of the Gdańsk Tech Library, and Erasmus+ mobility projects. International cooperation coordinator at the Gdańsk Tech Library (2017-2020) ; since 2020 Erasmus+ program coordinator at Gdańsk Tech Library ; social media librarian: Facebook (2018-2023, September), Twitter (@LibraryPG - 2017, October - 2023,...