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Wyniki wyszukiwania dla: MULTIFUNCTIONAL ENERGY STORAGE MATERIALS NANOSTRUCTURED MATERIALS BAND GAP TRANSFER LEARNING AB INITIO CALCULATIONS
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An effective method for studying intermolecular interactions in binary liquids with hydrogen bonds: FTIR spectra and ab initio calculations in the N-methylformamide - methanol system
PublikacjaMolecular complexes in methanol (MeOH)−N-methylformamide (NMF) mixtures were studied based on their FTIR-ATR spectra, to which two methods of analysis were applied: factor analysis and a quantitative version of the difference-spectra method. The mean composition of a complex between NMF and MeOH molecules over the whole range of mixture compositions was determined. Absorbing species differentiated with regard to the interaction...
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Nonlinearity shaping in nanostructured glass-diamond hybrid materials for optical fiber preforms
PublikacjaNanodiamond integration with optical fibers has proved a compelling methodology for magneto-optics. We reveal that the applicability of nanodiamonds in nonlinear optics goes beyond the previous demonstrations of frequency converters. Instead, we exploit the recently reported volumetric integration of nanodiamonds along the optical fiber core and show that the nonlinear response of glasses can be manipulated by nanodiamonds. By...
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Physics of Materials
Kursy OnlinePhysics of Materials: Doctoral School
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Michał Ryms dr hab. inż.
Osobydr hab. inż. Michał Ryms, fizyk, absolwent Politechniki Gdańskiej. Pracę doktorską obronił na Wydziale Chemicznym. Od 2011 roku pracuje w Katedrze Konwersji i Magazynowania Energii Politechniki Gdańskiej, obecnie na stanowisku profesora uczelni. Działalność naukowa obejmuje: zagadnienia związane z poprawą efektywności energetycznej oraz możliwości nowego zastosowania materiałów zmiennofazowych (PCM) głównie w budownictwie energooszczędnym...
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Anna Danuta Dettlaff dr inż.
OsobyTytuł magistra inżyniera uzyskała z wyróżnieniem w 2013 roku w Wydziale Chemii Analitycznej. W latach 2013-2017 była doktorantką na kierunku Technologia Chemiczna, podczas których zajmowała się pracą pt. "Badania nad nanokompozytami bazującymi na polimerach przewodzących oraz materiałach węglowych w celu zastosowania ich w superkondensatorach". W 2015 roku odbyła trzymiesięczny staż naukowy w Oldenburgu w Niemczech. Stopień doktora...
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Ab initio elasticity of chalcopyrites
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Thermodynamic analysis of the Compressed Air Energy Storage system coupled with the Underground Thermal Energy Storage
PublikacjaImprovement of flexibility is one of the key challenges for the transformation of the Polish Power System aiming at a high share of renewable energy in electricity generation. Flexible and dispatchable power plants will contribute to this ongoing transformation process as they compensate for fluctuations in electricity generation from renewable energy sources such as wind and photovoltaics. In this context, CAES storage tanks are...
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Deep insight into the pore size distribution of N-doped porous carbon materials on electrochemical energy storage and CO2 sorption
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Nanostructured biocatalysis for biotechnological applications
PublikacjaThe purpose immobilization process is to enhance the performance of an enzyme for commercial processes. A large number of structures have been reported in the literature to boost the effectiveness of immobilized enzymes. The nanomaterials have the optimal properties for equilibrating key parameters that govern the performance of biocatalysts, such as high enzyme loading ability, specific surface area, and mass transfer resistance....
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GRAPHENE-BASED SUPERCAPACITORS APPLICATION FOR ENERGY STORAGE
PublikacjaRecent advances in graphene-based supercapacitor technology for energy storage application were summarized. The comparison of different types of electrode materials in such supercapacitors was performed. The supercapacitors with graphene-based electrodes exhibit outstanding performance: high charge-discharge rate, high power density, high energy density and long cycle-life, what makes them suitable for various applications, e.g....
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The optical properties and band gap energy of nanocrystalline La0.4Sr0.6TiO3 thin films
PublikacjaW pracy zbadano wpływ mikrostruktury na właściwości optyczne La0.4Sr0.6TiO3 przygotowanego w postaci cienkiego filmu. Gęsty film o grubości 200nm i wielkości krystalitów 14-30nm został przygotowany na szafirze.
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Marek Pszczoła dr hab. inż.
OsobyI am a Faculty member (Department of Highway and Transportation Engineering) at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland). My main research interests include: low-temperature properties of asphalt mixtures, low temperature cracking assessment of pavement structures, road materials properties, thermal stress analysis, design of pavement structures, airfield design and analysis....
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Charge distribution and magnetic interactions in PrBa2Cu3O7 with substitutional defects and oxygen disorder: the ab initio approach
PublikacjaW artykule zaprezentowano rezultaty kwantowomechanicznych obliczeń ''ab initio: struktury elektronowej układu PrBa2Cu3O7 zawierającego defekty substytucyjne (Pr_Ba) w podsieci barowo-tlenowej oraz wykazującego zaburzoną stechiometrię tlenową (O5). Badane defekty są odpowiedzialne za redystrybucję ładunku w układzie. Defekty Pr_Ba generują silnie zlokalizowane momenty magnetyczne, które oddziałują głównie na płaszczyzny miedziowo-tlenowe.
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Analytical Methods for Causality Evaluation of Photonic Materials
PublikacjaWe comprehensively review several general methods and analytical tools used for causality evaluation of photonic materials. Our objective is to call to mind and then formulate, on a mathematically rigorous basis, a set of theorems which can answer the question whether a considered material model is causal or not. For this purpose, a set of various distributional theorems presented in literature is collected as the distributional...
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Ab-initio study of electrical and optical properties of allylamine
PublikacjaThe Density functional theory is one of most promising methodology in fast and accurate calculations of electrical and optical properties from the atomic basis. In this paper, we calculate electrical and optical properties of allylamine (2-propen 1- amine) in terms of accuracy and speed of calculations obtained by selection of DFT-1/2 method with ultrasoft Vanderbilt pseudopotentials. Comparison of density of states between...
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Ab-initio study of electrical and optical properties of allylamine
PublikacjaThe Density functional theory is one of most promising methodology in fast and accurate calculations of electrical and optical properties from the atomic basis. In this paper, we calculate electrical and optical properties of allylamine (2-propen 1- amine) in terms of accuracy and speed of calculations obtained by selection of DFT-1/2 method with ultrasoft Vanderbilt pseudopotentials. Comparison of density of states between molecule...
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Nonradiative long range energy transfer in donor-acceptor systems with excluded volume
PublikacjaW pracy analizowano bezpromienisty długozasięgowy transfer energii w układach donor-akceptor z uwzględnieniem objętości wyłączonej. Stwierdzono, że zanik fluorescencji pierwotnie wzbudzonych donorów jest wolniejszy, jeżeli uwzględnia się objętość wyłączoną. Ten efekt jest znacznie wzmocniony, gdy akceptory znajdują się w pewnej objętości niedostępnej dla donorów. Analizę numeryczną przeprowadzono stosując metodę symulacji Monte...
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Possibilities and benefits of a new method of modifying conventional building materials with phase-change materials (PCMs)
PublikacjaThe paper presents a current study devoted to the optimization of the amount of PCM present within traditional building materials, utilized in this case in hollow-brick walls. Authors focus on proposing an alternative to typical direct addition of PCM to existing building materials: introducing two- and three-component mixtures, based on a porous PCM carrier, which in this case was construction aggregate. Preliminary studies of...
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Heat transfer enhancement of modular thermal energy storage unit for reversible heat pump cooperation
PublikacjaThe following article presents experimental comparison research on a hexagonal shelland-tube latent thermal energy storage (TES). Such shape of a shell was deliberately chosen instead of a cylindrical one due to its high modularity and with intent for future applications in automobiles (EV and PHEV) air conditioning systems (HVAC). Two geometries of helical coils, acting as tubes, were studied in this article. One was a simple...
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Thermal energy storage using stearic acid as PCM material
PublikacjaThis work presents an experimental study of thermal energy storage by use of PCM. The aim of the study was to establish the influence of different inlet temperature of heat transfer fluid (HTF) and different Reynolds number of HTF on intensity of charging process. The PCM used in this study was stearic acid and water was used as HTF. A copper helical coil mounted in cylindrical container served as a heat transfer surface.
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Shape Memory Materials from Rubbers
PublikacjaSmart materials are much discussed in the current research scenario. The shape memory effect is one of the most fascinating occurrences in smart materials, both in terms of the phenomenon and its applications. Many metal alloys and polymers exhibit the shape memory effect (SME). Shape memory properties of elastomers, such as rubbers, polyurethanes, and other elastomers, are discussed in depth in this paper. The theory, factors...
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Crack propoagation in MgO-PSZ ceramic materials
PublikacjaThe properties of ceramic materials such as elevated hardness, high temperature capability, low coefficient of thermal expansion are of interest for rolling element materials. Widely used ceramic materials in engineering applications are silicon nitride, zirconia and alumina. The paper presents an experimental study of the fatigue life of MgO-PSZ ceramic material in lubricated contact with defined types of cracks. A ceramic angular...
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Effect of band gap on power conversion efficiency of single-junction semiconductor photovoltaic cells under white light phosphor-based LED illumination
PublikacjaOn the basis of the detailed balance principle, curves of efficiency limit of single-junction photovoltaic cells at warm and cool white light phosphor-based LED bulbs with luminous efficacy exceeding 100 lm/W have been simulated. The effect of energy band gap and illuminance on the efficiencies at warm and cool light is discussed. The simulations carried out show that maximum power conversion efficiency at 1000 lx reaches 52.0%...
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Marcin Wekwejt dr inż.
OsobyMarcin Wekwejt, absolwent studiów inżynierskich w inż. biomedycznej (2016; Politechnika Bydgoska im. J. i J. Śniadeckich & Collegium Medicum im. L. Rydygiera), studiów magisterskich w inż. mechaniczno-medycznej (2018; Politechnika Gdańska & Gdański Uniwersytet Medyczny) oraz studiów doktoranckich w dyscyplinie inż. materiałowej (2021, Politechnika Gdańska). Uzyskał z wyróżnieniem stopień naukowy doktora nauk inżynieryjno-technicznych...
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Synthesis and Characterization of Poly(zwitterionic) Structures for Energy Conversion and Storage
PublikacjaZwitterions are unique class of molecules that possess two functional groups bearing electric charges, one positive and second negative. This setup results in peculiar properties such as high water retention and anti-fouling capability. Therefore, zwitterionic coatings and gels are commonly applied in e.g. biosensing and bioelectronic devices. Despite those applications, there are other perspectives for zwitterionic materials....
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Progress in ATRP-derived materials for biomedical applications
PublikacjaThe continuing wave of technological breakthroughs and advances is critical for engineering well- defined materials, particularly biomaterials, with tailored microstructure and properties. Over the last few decades, controlled radical polymerization (CRP) has become a very promising option for the synthesis of precise polymeric materials with an unprecedented degree of control over mo lecular architecture. Atom transfer radical...
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MATERIALS LETTERS
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Towards large-scale application of nanoporous materials in membranes for separation of energy-relevant gas mixtures
PublikacjaMembranes containing nanoporous materials (such as zeolites, metal–organic materials and 2D materials such as graphene derivatives) may allow more efficient separation of gas mixtures relevant to emerging energy technologies. For example, such membranes could be applied in the separation of gases containing mixtures of carbon dioxide (CO2) and hydrogen (H2). However, these membranes are currently at a relatively low technology...
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Materials Research Express
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Sustainability of Civil Structures through the Application of Smart Materials: A Review
PublikacjaEvery year, structural flaws or breakdowns cause thousands of people to be harmed and cost billions of dollars owing to the limitations of design methods and materials to withstand extreme earthquakes. Since earthquakes have a significant effect on sustainability factors, there is a contradiction between these constraints and the growing need for more sustainable structures. There has been a significant attempt to circumvent...
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STRENGTH of MATERIALS TOWARDS APPLICATIONS (2024)
Kursy OnlineThe SMTA DATE Course consists of the following problems to be discussed during the lectures: - Introduction to strength of materials towards applications - Fundamentals of modelling in strength of materials towards applications - Materials and basic structures - Fundamentals of modelling in strength of materials towards applications - Definition of environment and loads - General, energy-based and advanced methods for analysis...
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Materials for Mediator-free Electron Transfer in the Enzymatic Electrodes of Biobatteries and Biofuel Cells
PublikacjaWe present functionalization of single-walled carbon nanotubes (SWCNTs) and their application in the enzymatic fuel cells construction. SWCNTs were covalently modified with different types of aromatic moieties. Free radical reaction was employed to create direct carbon-carbon bond between moiety and SWCNTs. In second approach functionalization takes place through amide bonding. Functionalized SWCNTs were characterized by spectroscopy...
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Role of nitrogen in evolution of sp2/sp3 bonding and optical band gap in hydrogenated carbon nitride
PublikacjaDrastic changes in the bonding are found in amorphous hydrogenated carbon nitride (a-CNx:H) film as a function of nitrogen concentration (or N/C ratio). The total C-sp3 fraction and hardness shows a sharp decrease (at N/C = 0.40) whereas optical band gap and resistivity shows a gradual increase as nitrogen concentration increases from 0.07 to 0.58. Raman spectrum of a-CNx:H film is fitted with both Gaussian (integrated intensity...
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Low and high energy explosive materials used in shale gas recovery
PublikacjaNowadays the explosives are widely used in many areas of life, including industry and mining. A wide range of explosive materials is used in the petroleum industry - from low to high explosives. Recently, as the unconventional oil and gas production became possible, explosives are also found to be used in perforators during the pre-completion stage of the fracturing process. This paper presents literature on theoretical and practical...
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Energy Storage
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A review of phase change materials and heat enhancement methodologies
PublikacjaPhase change materials (PCMs) are an efficient alternative to store and release heat at a specific range of temperature. Here PCMs and heat enhancement methodologies for PCM storage are reviewed. A short overview of PCMs and their applications is presented in addition to the progress during the last 10 years. Heat enhancement techniques, that is, extended surfaces, multiple and composite PCMs, and encapsulation techniques, are...
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Advances in Functional Materials 2024
Kursy OnlineOur summer school on Advances in Functional Materials 2024 aims to bring together young scientists (Ph.D. and MSc students) with specialists in materials engineering. You will be able to follow our lectures, and laboratory classes so you can practice what you have learned. This course consists of 40 hours of direct contact classes - 30 hours of lectures and 10 hours of laboratory classes delivered by our specialists from the Advanced...
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DIAMOND AND RELATED MATERIALS
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Investigating BiMeVOx compounds as potential photoelectrochemical and electrochemical materials for renewable hydrogen production
PublikacjaIn this study, BiMeVOx compounds (where Me: Co, Mo, Ce, Zr) were synthesized and characterized as potential photoelectrochemical materials for solar water splitting, the hydrogen evolution reaction (HER), and oxygen evolution reaction (OER). The analysis confirmed the successful formation of phase BiMeVOx compounds with the desired crystal structure. Among the tested materials, BiCoVOx(800) showed the highest photocurrent density...
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Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations
PublikacjaHydrated zinc(II) cations, due to their importance in biological systems, are the subject of ongoing research concerning their hydration shell structure and dynamics. Here, ab initio molecular dynamics (AIMD) simulations are used to study solvent exchange events around aqueous Zn2+, for which observation in detail is possible owing to the considerable length of the generated trajectory. While the hexacoordinated Zn(H2O)62+ is the...
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Journal of Ultrafine Grained and Nanostructured Materials
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Nanotechnologies in Development of Structural Materials and Biomaterials
PublikacjaThe nanometric materials and technologies resulted in nanostructures are reviewed. The examples of nanomaterials are shown. The typical nanotechnologies, including plastic deformation, mechanical attrition, controlled detonation, hot plasma jet synthesis, laser vaporisation, CVD and PVD, mechanical milling, annealing, ultrasonic irradiation, nanolithography, electrocrystallisation, electrospinning, sol-gel method, cryogenic laser-enhanced...
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Evaluation of Chemotherapeutic Activity of the Selected Bases’ Analogues of Nucleic Acids Supported by ab initio Various Quantum Chemical Calculations
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Strenght of materials towards applications , PG_00053661
Kursy OnlineThe course is dedicated to the DAPE WIMiO Students. From the theoretical point of view the course consists of the following problems to be discussed during the lectures: -fundamentals of strength of materials -basic structures and environment -loads on structures -strength of materials: tension, stress, analysis of stress and strain, bending moments and shearing forces, longitudinal and shearing stress in beams, bending stress...
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Highly Dissipative Materials for Damage Protection against Earthquake-Induced Structural Pounding
PublikacjaIt is a common situation that seismic excitations may lead to collisions between adjacent civil engineering structures. This phenomenon, called earthquake-induced structural pounding, may result in serious damage or even the total collapse of the colliding structures. Filling the gap between two buildings erected close to one another by using visco-elastic materials can be considered to be one of the most effective methods to avoid...
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Comprehensive thermodynamic analysis of the CAES system coupled with the underground thermal energy storage taking into account global, central and local level of energy conversion
PublikacjaA key aspect of CAES is the optimal configuration of the thermodynamic cycle. In this paper, the situation of cooperation between the current conventional power plants and wind farms is analyzed, and then, based on thermodynamic models, the process of storing thermal and electrical energy in the CAES system coupled with a heat storage and recovery is developed. Therefore, three levels can be distinguished, namely: the global level...
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Hybrid electrode materials for fast performance devices
PublikacjaEnergy storage devices such as Electrochemical Double Layer Capacitors and other types of the electrochemical capacitors require chemically stable, non-soluble, electrochemically active electrode materials compatible with appropriate electrolytes. Factors which determine their applicability are derived from so called electrochemical window of electroltes, nature of charge accumulation and their kinetics. On the other hand technological...
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Poland’s energy dependence - economic context
Dane BadawczePoland does not have vast resources of non-renewable energy and no nuclear power plant, therefore the issue of the energy dependence of the state, which affects the level of energy security of the country, is an extremely important factor. It depends on both the volume of imports of energy raw materials and the policy of diversification of sources of...
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Ab initio chemical kinetics of Isopropyl acetate oxidation with OH radicals
PublikacjaGlobal reactivity descriptors of isopropyl acetate (IPA) and thermo-kinetic aspects of its oxidation via OH radicals have been studied. Transition state theory (TST) was utilized to estimate the bimolecular rate constants. Ten oxidation pathways have been investigated, and all of them are exothermic. The potential energy diagram has been sketched using different pre- and post-reactive complexes for all reaction pathways. Rate coefficient...
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Stability analysis of a dike constructed of anthropogenic materials
PublikacjaNumerical analyses of stability are presented for a hypothetical dikes constructed of dredged materials and bottom ash, in varying proportions. The paper is related to the international research project DredgDikes, which focused on the use of anthropogenic materials in dikes construction and flood protection. The aim of this project was to investigate the possibility of using anthropogenic materials from rivers and sea dredging...