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Search results for: QUANTUM DYNAMICS, NUMERICAL METHODS, TIME-DEPENDENT HAMILTONIAN, COUPLED SCHRÖDINGER EQUATIONS, FIELD-MOLECULE INTERACTION, PHOTOASSOCIATION, POWER-LAW DECAY, DIATOMIC MOLECULE, SPIN-ORBIT COUPLING, TRANSITION DIPOLE MOMENT
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Toward Mechanosynthesis of Diamondoid Structures: IX Commercial Capped CNT Scanning Probe Microscopy Tip as Nowadays Available Tool for Silylene Molecule and Silicon Atom Transfer
PublicationAccording to K. E. Drexler, advanced mechanosynthesis will employ advanced nanomachines, but advanced nanomachines will themselves be product of advanced mechanosynthesis. This circular relationship must be broken in SPM technology development. In the article, the possibility of use easy available commercial CNT tips to assembly silicon-based intermediate generations of nano-devices is considered. Mechanosynthesis of a target class...
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Interaction Between Storm Water Conduit Flow and Overland Flow for Numerical Modelling of Urban Area Inundation
PublicationNowadays we can observe increasing frequency of inundations in cities. This makes accurate predicting of inundations more important than ever. Numerical modeling of this issue requires complex approach with simultaneous calculations of pipe flow and surface flow. In this paper, after a short review of known methods used for solving pipe and surface flow, we will try to answer the question if presented methods would be sufficiently...
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Comparison the Accuracy of the Extrapolation Methods of the Time Phase Coincidence in Synchronization of Power Generating Units
PublicationW artykule opisano metody ekstrapolacji chwili zgodności fazowej napięć łączonych obiektów elektroenergetycznych. Przeprowadzono analizę porównawczą wybranych metod ekstrapolacji w równych warunkach pracy oraz przedstawiono najistotniejsze wyniki badań.
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Ab initio study of phenyl benzoate: structure, conformational analysis, dipole moment, IR and Raman vibrational spectra
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Exciton quenching in emitter blends for organic light emitting devices probed by electric field-dependent time-resolved luminescence
PublicationW pracy badano mechanizm wygaszania ekscytonów w układzie dwuamina TPD:organiczny kompleks Eu:matryca TPD przez pomiar zaniku fotoluminescencji w zewnętrznym polu elektrycznym.
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Coupled Urban Areas Inundation Model with Interaction Between Storm Water System and Surface Flow - Case Study of Sea Level Impact on Seaside Areas Flooding
PublicationInundations are becoming more frequent than ever. What is connected with increasing area of impervious surface in cities. This makes predicting urban flooding and its scale especially important. At the seaside we observe additional conditions such as sea level that makes accurate numerical modelling of issue even harder. With complex approach to the matter which is simultaneous calculation of storm water conduit flow and overland...
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Explicit and implicit difefrence methods for quasilinear first order partial functional differential equations.
PublicationInitial boundary value problems of the Dirichlet type for quasilinear functional differential equations are considered. Explicit difference schemes of the Euler type and implicit difference methods are investigated. Suffcient conditions for the convergence of approximate solutions are given and comparisons of the methods are presented. It is proved that assumptions on the regularity of given functions are the same for both classes...
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Time-of-flight electron scattering from molecular hydrogen: Benchmark cross sections for excitation of the X1Σ+g→b3Σ+u transition
PublicationThe electron impact X1Σ+g to b3Σ+u transition in molecular hydrogen is one of the most important dissociation pathways to forming atomic hydrogen atoms, and is of great importance in modeling astrophysical and industrial plasmas where molecular hydrogen is a substantial constituent. Recently it has been found that the convergent close-coupling (CCC) cross sections of Zammit et al. [Phys. Rev. A 95, 022708 (2017)] are up to a factor...
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Field Methods (formerly: Cultural Anthropology Methods)
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Numerical Analysis of Recharge Rates and Contaminant Travel Time in Layered Unsaturated Soils
PublicationThis study focused on the estimation of groundwater recharge rates and travel time of conservative contaminants between ground surface and aquifer. Numerical simulations of transient water flow and solute transport were performed using the SWAP computer program for 10 layered soil profiles, composed of materials ranging from gravel to clay. In particular, sensitivity of the results to the thickness and position of weakly permeable...
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A Low-Profile Metal-backed Dipole Loaded with Closely Coupled Arc-shaped Open Stubs for On-metal Tag Design with Wide Frequency Tuning Capability
PublicationThis research has presented a single-layer metal-backed dipole antenna, which consists of a feedline loaded with two pairs of closely-coupled arc-shaped open stubs, for designing a metal-mountable tag that features tuning capability over a wide range of frequency. Here, the stubs can generate sufficient inductive reactance for bringing down the tag resonant frequency tunable in both the regulated UHF RFID passbands (North American...
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An insight into the mixed quantum mechanical-molecular dynamics simulation of a ZnII-Curcumin complex with a chosen DNA sequence that supports experimental DNA binding investigations
PublicationAn important aspect of research pertaining to Curcumin (HCur) is the need to arrest its degradation in aqueous solution and in biological milieu. This may be achieved through complex formation with metal ions. For this reason, a complex of HCur was prepared with ZnII, that is not likely to be active in redox pathways, minimizing further complications. The complex is monomeric, tetrahedral, with one HCur, an acetate and a molecule...
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Redundantly Actuated 3RRR Parallel Planar Manipulator - Numerical Analyses of its Dynamics Sensitivity on Modifications of its Platform’s Inertia Parameters
PublicationIn the paper, numerical analyses, as well as dynamics of a complex mechanism, are presented. Two objectives are crucial for the paper: inverse dynamic model is needed (dedicated to be use in the model predictive controller); an identification method is searched (some trajectory parameters are controlled, when specific trajectory is tracked under an open-loop model-based control), as selected parameters must be identified for the...
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[IMe] Advanced numerical methods in mechanics
e-Learning Courses{mlang pl} Dyscyplina: IMe Zajęcia obowiązkowe dla doktorantów I roku Prowadzący: K. Tesch, A. Żak Liczba godzin: 45 Forma zajęć: wykład/laboratorium {mlang} {mlang en} Discipline: IMe Obligatory course for 1st year PhD students Academic teacher: K. Tesch, A. Żak Total hours of training: 45 teaching hours Course type: lecture/Laboratories {mlang}
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[IMe] Advanced numerical methods in mechanics
e-Learning Courses{mlang pl} Dyscyplina: IMe Zajęcia obowiązkowe dla doktorantów I roku Prowadzący: K. Tesch, A. Żak Liczba godzin: 45 Forma zajęć: wykład/laboratorium {mlang} {mlang en} Discipline: IMe Obligatory course for 1st year PhD students Academic teacher: K. Tesch, A. Żak Total hours of training: 45 teaching hours Course type: lecture/Laboratories {mlang}
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[IMe] Advanced numerical methods in mechanics
e-Learning Courses{mlang pl} Dyscyplina: IMe Zajęcia obowiązkowe dla doktorantów I roku Prowadzący: K. Tesch, A. Żak Liczba godzin: 45 Forma zajęć: wykład/laboratorium {mlang} {mlang en} Discipline: IMe Obligatory course for 1st year PhD students Academic teacher: K. Tesch, A. Żak Total hours of training: 45 teaching hours Course type: lecture/Laboratories {mlang}
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[IMe] Advanced numerical methods in mechanics
e-Learning Courses{mlang pl} Dyscyplina: IMe Zajęcia obowiązkowe dla doktorantów I roku Prowadzący: K. Tesch, A. Żak Liczba godzin: 45 Forma zajęć: wykład/laboratorium {mlang} {mlang en} Discipline: IMe Obligatory course for 1st year PhD students Academic teacher: K. Tesch, A. Żak Total hours of training: 45 teaching hours Course type: lecture/Laboratories {mlang}
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Determination of Thermophysical Parameters Involved in The Numerical Model to Predict the Temperature Field of Cast-In-Place Concrete Bridge Deck
PublicationThe paper dealswith a concept of a practical computationmethod to simulate the temperature distribution in an extradosed bridge deck. The main goal of the study is to develop a feasible model of hardening of concrete consistent with in-situ measurement capabilities. The presented investigations include laboratory tests of high performance concrete, measurements of temperature evolution in the bridge deck and above all, numerical...
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Compensation of Dead Time Effects for Shunt Active Power Filters
PublicationThe paper presents a comprehensive approach to the compensation of the grid current distortion for shunt active power filter systems. Four different sources of current distortion are addressed: imperfect grid synchronization caused by the distortion in the grid voltages, time delays in the estimation of compensating currents and grid voltages, fluctuations of the dc bus voltage, and the distortion of inverter output voltages due...
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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublicationOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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Improved maximum power point tracking algorithms by using numerical analysis techniques for photovoltaic systems
PublicationSolar photovoltaic (PV) panels generate optimal electricity when operating at the maximum power point (MPP). This study introduces a novel MPP tracking algorithm that leverages the numerical prowess of the predictor-corrector method, tailored to accommodate voltage and current fluctuations in PV panels resulting from variable environmental factors like solar irradiation and temperature. This paper delves into the intricate dynamics...
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Numerical Analysis of Mice Carotid Arteries’ Response Emphasizing the Importance of Material Law Constants’ Validation
PublicationIn this paper, a detailed validation of the passive material properties of mice carotid arteries and constants of the Fung and Holzapfel hyperelastic material laws is conducted by means of static nonlinear FEM analyses. The response of the carotid arteries in an inflation test is studied here for the following mouse models: wild-type, mdx, sgcd−/−, Eln+/+, Eln+/−, Fbln5+/+, and Fbln5−/−. All FEM computations are conducted on models...
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Dynamics of Partial Differential Equations
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MicroscopicA75sNMR study of the effect of impurities on the first-order spin-density-wave transition inBaFe2As2
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INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN ENGINEERING
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Coupled cluster and DFT calculations of 14N nuclear quadrupole coupling constants
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Comparison of various speech time-scale modificartion methods
PublicationThe objective of this work is to investigate the influence of the different time-scale modification (TSM) methods on the quality of the speech stretched up using the designed non-uniform real-time speech time-scale modification algorithm (NU-RTSM). The algorithm provides a combination of the typical TSM algorithm with the vowels, consonants, stutter, transients and silence detectors. Based on the information about the content and...
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Approximate methods for functional differential equations
PublicationW pracy przedstawione są dwie klasy przybliżonych metod rozwiązywania równań różniczkowo funkcyjnych ze szczególnym uwzględnieniem równań różniczkowych z opóźnieniem. Do pierwszej klasy należą metody bezpośrednie reprezentowane w przedkładanej rozprawie przez dwukrokowe metody Rungego-Kutty. Należą one do klasy ogólnych metod liniowych rozwiązywania równań różniczkowych. Druga klasę przybliżonych metod rozwiązywania równań różniczkowo...
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BIOGAS PRODUCTION FROM BAKERY WASTES -DYNAMICS, RETENTION TIME AND BIOGAS POTENTIAL
PublicationThis paper presents results of bakery-waste methane-fermentation. The scope of the study covers the determination of basic physicochemical parameters, process dynamics and retention time as well as biogas composition and biogas efficiency. Methane fermentation process was carried out in accordance with German Standard DIN 38414 S8 and under condition of 38°C. Conclusion: bakery wastes have big potential for biogas production.
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Introduction to advanced numerical methods in engineering
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Numerical methods in heat and fluid flow
e-Learning CoursesPrzedmiot odnosi się do bilansu masy pędu i energii w ujęciu 0D i 3D.
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Numerical methods in heat and fluid flow
e-Learning CoursesPrzedstawienie zagadnień dotyczących modelowania urządzeń instalacji energetycznych, w tym obiegów cieplnych termodynamicznych oraz wybranych urządzeń instalacji energetycznych przy użyciu kodów komercyjnych. Przedstawienie możliwości obliczeniowych kodu obliczeniowego typu CFD.
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Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials: Role of the Dipole Moment Correction Term in Successful Predictions
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Analytical solution of non-stationary heat conduction problem for two sliding layers with time-dependent friction conditions
PublicationIn this article we conduct an overview of various types of thermal contact conditions at the sliding interface. We formulate a problem of non-stationary heat conduction in two sliding layers with generalized thermal contact conditions allowing for dependence of the heat-generation coefficient and contact heat transfer coefficient on time. We then derive an analytical solution of the problem by constructing a special coordinate...
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L1 Cell Adhesion Molecule Overexpression Down Regulates Phosphacan and Up Regulates Structural Plasticity-Related Genes Rostral and Caudal to the Complete Spinal Cord Transection
PublicationL1 cell adhesion molecule (L1CAM) supports spinal cord cellular milieu after contusion and compression lesions, contributing to neuroprotection, promoting axonal outgrowth, and reducing outgrowth-inhibitory molecules in lesion proximity. We extended investigations into L1CAM molecular targets and explored long-distance effects of L1CAM rostral and caudal to complete spinal cord transection (SCT) in...
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Joanna Janczewska prof. dr hab.
PeopleJoanna Janczewska obtained her PhD degree at the University of Gdansk in 2002. From October 1999 to September 2004 she was an assistant at the University of Gdansk. Since October 2004 she has been an assistant professor at the Gdansk University of Technology. Moreover, from October 2008 to September 2010 she had a visiting position in the Institute of Mathematics of the Polish Academy of Sciences. Her mathematical interests...
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Numerical modeling of wave-seabed-structure interaction.
PublicationPraca doktorska przedstawia propozycję nowoczesnego rozwiązania obciążeń hydraulicznych przy uwzględnieniu nieliniowych oddziaływań pomiędzy falą wodną, przepuszczalnym dnem i porowatą konstrukcją morską. Nabrzeże pionowe, falochron podwodny i falochron kompozytowy były obiektem eksperymentów numerycznych, których wyniki były weryfikowane przy użyciu wyników laboratoryjnych (niszczących i nieniszczących). Krótki przegląd bieżącej...
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Structural and Evolutionary Analysis Indicate That the SARS-CoV-2 Mpro Is a Challenging Target for Small-Molecule Inhibitor Design
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Structural and Evolutionary Analysis Indicate that the SARS-CoV-2 Mpro is an Inconvenient Target for Small-Molecule Inhibitors Design
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Influence of magnetic interaction on lattice dynamics of FeBO 3
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Low-Power Receivers for Wireless Capacitive Coupling Transmission in 3-D-Integrated Massively Parallel CMOS Imager
PublicationThe paper presents pixel receivers for massively parallel transmission of video signal between capacitive coupled integrated circuits (ICs). The receivers meet the key requirements for massively parallel transmission, namely low-power consumption below a single μW, small area of less than 205 μm2, high sensitivity better than 160 mV, and good immunity to crosstalk. The receivers were implemented and measured in a 3-D IC (two face-to-face...
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Modelling long-term technological transition of Polish power system using MARKAL: Emission trade impact
PublicationThe need for technological transition of electricity production becomes a global problem. However, in coal-dominated Polish power system this need is even more crucial than anywhere, since technical lifetime of the most domestic power plants is ending. In this paper, the impact of the EU Emission Trading Scheme (EU ETS) for CO2 combined with sulfur dioxide (SO2) and nitrogen oxides (NOx) emission trading mechanism on power technology...
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At the Limits of Criticality-Based Quantum Metrology: Apparent Super-Heisenberg Scaling Revisited
PublicationWe address the question of whether the super-Heisenberg scaling for quantum estimation is indeed realizable. We unify the results of two approaches. In the first one, the original system is compared with its copy rotated by the parameter-dependent dynamics. If the parameter is coupled to the one-body part of the Hamiltonian, the precision of its estimation is known to scale at most as N−1 (Heisenberg scaling) in terms of the number...
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Environmentally Oriented Models and Methods for the Evaluation of Drug x Drug Interaction Effects
PublicationThis detailed review compares known and widely used methods for drug interaction estimation, some of which now have historical significance. Pharmaceutical application has been noted as far back as several thousand years ago. Relatively late in the 20th century, however, researchers became aware that their fate and metabolism, which still remain a great challenge for environmental analysts and risk assessors. For the patient’s...
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Fracture mechanics model of cutting power versus widespread regression equations while wood sawing with circular saw blades
PublicationA comparison of the theoretical cutting power consumption results forecasted with the model (FM_CM model) which include work of separation (fracture toughness) in addition to plasticity and friction, and two widespread regression equations while wood sawing with circular saw blades has been described. in and cutting power consumption forecasted. In computations of the cutting power consumption during rip sawing of Scots pine wood...
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Numerical integration of a coupled Korteweg-deVries system
PublicationMetoda numeryczna została wprowadzona do rozwiązania ogólnych układów równańKorteweg´a- de Vries´a. Zastosowana do równania Hirota-Satsuma.
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Excited state properties of a series of molecular photocatalysts investigated by time dependent density functional theory.
PublicationTime dependent density functional theory calculations are applied on a series of molecular photocatalysts of the type [(tbbpy)2M1(tpphz)M2X2]2+ (M1 = Ru, Os; M2 = Pd, Pt; X = Cl, I) in order to provide information concerning the photochemistry occurring upon excitation of the compounds in the visible region. To this aim, the energies, oscillator strengths and orbital characters of the singlet and triplet excited states are investigated....
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COMMUNICATIONS IN NUMERICAL METHODS IN ENGINEERING
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Numerical analysis of open channel steady gradually varied flow using the simplified saint-venant equations
PublicationFor one-dimensional open-channel flow modeling, the energy equation is usually used. There exist numerous approaches using the energy equation for open-channel flow computations, which resulted in the development of several very efficient methods for solving this problem applied to channel networks. However, the dynamic equation can be used for this purpose as well. This paper introduces a method for solving a system of non-linear...
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Możliwości sterowania mocą bierną elektrowni wiatrowej : Reactive power control methods in wind parks
PublicationReferat poświęcony jest zagadnieniu sterowania mocą bierną w elektrowniach wiatrowych. W pierwszej części referatu opisano tło problemu sterowania mocą bierną w parkach wiatrowych, podano powody, dla których moc bierna powinna podlegać regulacji oraz zarysowano metody, które mogą być do niej użyte. W celu sprawdzenia proponowanych metod kompensacji, zbudowano model matematyczny elektrowni wiatrowej, którego poszczególne elementy...