Search results for: Born-Oppenheimer approximation
-
Coherent-wave Monte Carlo method for simulating light propagation in tissue
PublicationSimulating propagation and scattering of coherent light in turbid media, such as biological tissues, is a complex problem. Numerical methods for solving Helmholtz or wave equation (e.g. finite-difference or finite-element methods) require large amount of computer memory and long computation time. This makes them impractical for simulating laser beam propagation into deep layers of tissue. Other group of methods, based on radiative...
-
Scheduling with Complete Multipartite Incompatibility Graph on Parallel Machines
PublicationIn this paper we consider a problem of job scheduling on parallel machines with a presence of incompatibilities between jobs. The incompatibility relation can be modeled as a complete multipartite graph in which each edge denotes a pair of jobs that cannot be scheduled on the same machine. Our research stems from the works of Bodlaender, Jansen, and Woeginger (1994) and Bodlaender and Jansen (1993). In particular, we pursue the...
-
Radiative lifetime of a BODIPY dye as calculated by TDDFT and EOM-CCSD methods: solvent and vibronic effects
PublicationThe radiative emission lifetime and associated S1 excited state properties of a BODIPY dye are investigated with TDDFT and EOM-CCSD calculations. The effects of a solvent are described with the polarizable continuum model using the linear response (LR) approach as well as state-specific methods. The Franck–Condon (FC), Herzberg–Teller (HT) and Duschinsky vibronic effects are evaluated for the absorption and emission spectra, and...
-
Bandwidth-size design trade-offs for compact spline-parameterised patch couplers by means of electromagnetic-driven multi-objective optimisation
PublicationBroad bandwidth and small size are the key performance figures for contemporary microwave couplers. These requirements are conflicting, i.e. improvement of one generally leads to degradation of the other assuming fixed topology of the circuit at hand. From a designer's perspective, the knowledge about available design trade-offs is indispensable as it permits for tailoring the circuit for particular applications as well as comparing...
-
Artificial Thermal Ageing of Polyester Reinforced and Polyvinyl Chloride Coated Technical Fabric
PublicationArchitectural fabric AF9032 has been subjected to artificial thermal ageing to determine changes of the material parameters of the fabric. The proposed method is based on the accelerated ageing approach proposed by Arrhenius. 300 mm x 50 mm samples were cut in the warp and fill directions and placed in a thermal chamber at 80 °C for up to 12 weeks or at 90 °C for up to 6 weeks. Then after one week of conditioning at ambient temperature,...
-
Some Aspects of Shear Behavior of Soft Soil–Concrete Interfaces and Its Consequences in Pile Shaft Friction Modeling
PublicationThis paper examines the stiffness degradation and interface failure load on soft soil–concrete interface. The friction behavior and its variability is investigated. The direct shear tests under constant normal load were used to establish parameters to hyperbolic interface model which provided a good approximation of the data from instrumented piles. Four instrumented piles were used to obtain reference soil–concrete interface behavior....
-
Analysis of circular polarization antenna design trade‐offs using low‐cost EM‐driven multiobjective optimization
PublicationCircular polarization (CP) antennas are vital components of modern communication systems. Their design involves handling several requirements such as low reflection and axial ratio (AR) within the frequency range of interest. Small size is an important criterion for antenna mobility which is normally achieved as a by‐product of performance‐oriented modifications of the structure topology. In this work, multiobjective optimization...
-
Analysis of Floodplain Inundation Using 2D Nonlinear Diffusive Wave Equation Solved with Splitting Technique
PublicationIn the paper a solution of two-dimensional (2D) nonlinear diffusive wave equation in a partially dry and wet domain is considered. The splitting technique which allows to reduce 2D problem into the sequence of one-dimensional (1D) problems is applied. The obtained 1D equations with regard to x and y are spatially discretized using the modified finite element method with the linear shape functions. The applied modification referring...
-
Roman Śmierzchalski prof. dr hab. inż.
PeopleRoman Śmierzchalski born in 1956 in Gdynia. He received the M.Sc. degree in 1979, the Ph.D. degree in 1989, both from the Gdańsk University of Technology, and the D.Sc. (‘habilitation’) degree in 1999 from the Warsaw University of Technology. From 1980 to 2009 he was an academic teacher and researcher with the Gdynia Maritime University, and since 2009 he has been with the Gdansk University of Technology, where he is currently...
-
Jan Suchorzewski dr inż.
PeopleJan Suchorzewski MSc, born 13.03.1990 in Gdańsk, graduated in civil engineering with specialization in engineering structures at Gdańsk University of Technology in 2014, at thye same time begun work at GUT as PhD student working in a project "Analysis of coupled deterministic-statistic size effect in quasi-brittle materials" performing experimental investigation of shear strength of RC-beams and numerical calculations of concrete...
-
Wpływ wybranych właściwości maszyny badawczej na wynik eksperymentu tribologicznego z tarciem ślizgowym
PublicationNiniejsza monografia stanowi podsumowanie przekrojowych badań związanych z wpływem właściwości stanowiska badawczego (tribometru) na przebieg i rejestrowane wyniki eksperymentu tribologicznego z tarciem ślizgowym ciał stałych smarowanych cieczą w warunkach tarcia bez efektów smarowania hydrodynamicznego. Autor przedstawia wyniki kompleksowych analiz właściwości dynamicznych stanowiska badawczego w kontekście efektów obserwowanych...
-
Maciej Łuszczek dr hab. inż.
PeopleMaciej Łuszczek born in 1967 in Gdynia. He received the M.Sc. degree in Applied Physics in 1991, the Ph.D. degree in 1999, and the D.Sc. (‘habilitation’) degree in 2015, all from the Gdańsk University of Technology. Since 1991 he has been with the above university, initially at the Faculty of Applied Physics and Mathematics, Department of Solid State Physics, and currently (since 2015) at the Faculty of Electrical and Control Engineering,...
-
A new approach to a fast and accurate design of microwave circuits with complex topologies
PublicationA robust simulation-driven design methodology of microwave circuits with complex topologies has been presented. The general method elaborated is suitable for a wide class of N-port unconventional microwave circuits constructed as a deviation from classic design solutions. The key idea of the approach proposed lies in an iterative redesign of a conventional circuit by a sequential modification and optimisation of its atomic building...
-
The experimental identification of the dynamic coefficients of two hydrodynamic journal bearings operating at constant rotational speed and under nonlinear conditions.
PublicationHydrodynamic bearings are commonly used in ship propulsion systems. Typically, they are calculated using numerical or experimental methods. This paper presents an experimental study through which it has been possible to estimate 24 dynamic coefficients of two hydrodynamic slide bearings operating under nonlinear conditions. During the investigation, bearing mass coefficients are identified by means of a newly developed algorithm....
-
The Experimental Determination of Bearings Dynamic Coefficients in a Wide Range of Rotational Speeds, Taking into Account the Resonance and Hydrodynamic Instability
PublicationMethods for the experimental determination of dynamic coefficients are commonly used for the analysis of various types of bearings, including hydrodynamic, aerodynamic and foil bearings. There are currently several algorithms that allow estimating bearing dynamic coefficients. Such algorithms usually use various excitation techniques applied to rotor–bearings systems. So far only a small number of scientific publications show how...
-
Cross-sections for electron-scattering from 2-methyl-1-buten-3-yne, C 5 H 6 , molecules
PublicationtCross-sections for electron collisions with the 2-methyl-1-buten-3-yne [H2C C(CH3)C CH] moleculewere measured and calculated. Absolute grand-total electron-scattering cross-section (TCS) was takenat impact energies from 0.6 to 300 eV in the linear electron-transmission experiment. The TCS energydependence for the electron–C5H6collision has two prominent enhancements separated with a deepminimum located near 1.8 eV. In addition,...
-
Antenna Modeling Using Variable-Fidelity EM Simulations and Constrained Co-Kriging
PublicationUtilization of fast surrogate models has become a viable alternative to direct handling of fullwave electromagnetic (EM) simulations in EM-driven design. Their purpose is to alleviate the difficulties related to high computational cost of multiple simulations required by the common numerical procedures such as parametric optimization or uncertainty quantification. Yet, conventional data-driven (or approximation) modeling techniques...
-
Polish Adaptation of the Pregnancy-Related Anxiety Questionnaire—Revised 2 for All Pregnant Women
PublicationPregnancy-related anxiety (PrA) is a specific type of anxiety characteristic of the perinatal period. PrA can affect pregnancy and birth. However, no validated tool exists to measure PrA in Polish obstetric practice. The aim of this study was to translate the Pregnancy-Related Anxiety Questionnaire—Revised 2 (PRAQ-R2) into Polish and to evaluate its reliability and factorial and construct validity. This study was conducted in Poland...
-
Accelerated design optimization of miniaturized microwave passives by design reusing and Kriging interpolation surrogates
PublicationElectromagnetic (EM) analysis has become ubiquitous in the design of microwave components and systems. One of the reasons is the increasing topological complexity of the circuits. Their reliable evaluation—at least at the design closure stage—can no longer be carried out using analytical or equivalent network representations. This is especially pertinent to miniaturized structures, where considerable EM cross-coupling effects occurring...
-
Accelerated multi-objective design of miniaturized microwave components by means of nested kriging surrogates
PublicationDesign of microwave components is an inherently multiobjective task. Often, the objectives are at least partially conflicting and the designer has to work out a suitable compromise. In practice, generating the best possible trade‐off designs requires multiobjective optimization, which is a computationally demanding task. If the structure of interest is evaluated through full‐wave electromagnetic (EM) analysis, the employment of...
-
Core–shell excitation of isoxazole at the C, N, and O K-edges – an experimental NEXAFS and theoretical TD-DFT study
PublicationThe near-edge X-ray absorption fine structure (NEXAFS) spectra of the gas-phase isoxazole molecule have been measured by collecting total ion yields at the C, N, and O K-edges. The spectral structures have been interpreted using time-dependent density functional theory (TD-DFT) with the short-range corrected SRC2-BLYP exchange–correlation functional. Experimental and calculated energies of core excitations are generally in good...
-
Mining Knowledge of Respiratory Rate Quantification and Abnormal Pattern Prediction
PublicationThe described application of granular computing is motivated because cardiovascular disease (CVD) remains a major killer globally. There is increasing evidence that abnormal respiratory patterns might contribute to the development and progression of CVD. Consequently, a method that would support a physician in respiratory pattern evaluation should be developed. Group decision-making, tri-way reasoning, and rough set–based analysis...
-
Joint experimental and theoretical study on electron scattering from titanium tetrachloride (TiCl4) molecule
PublicationAbsolute grand-total cross section for electron scattering from titanium tetrachloride, TiCl4, molecule was measured at electron-impact energies ranging from 0.3 to 300 eV, in the linear electron-transmission experiment. The elastic integral, differential, momentum transfer, and total ionization cross sections for TiCl4 molecule were also calculated for low and intermediate collisional energies at the level of various theories. The...
-
Jakub Szulwic dr inż.
PeopleJakub Szulwic (born 23 December 1974 in Bydgoszcz, Poland) – is an experienced, licensed Land Surveyor, specialized in construction monitoring by the use of photogrammetric methods and laser scanning technology. His specialization are geomatics and geoinformatics. He is an author about 100 publications including 50 indexed in Web of Science (H-index = 15) In 1993, He graduated from Secondary School in Tuchola, Poland on physics...
-
Janusz Smulko prof. dr hab. inż.
PeopleHe was born on April 25, 1964 in Kolno. He graduated in 1989 with honors from the Faculty of Electronics at Gdańsk University of Technology, specialising in measuring instruments. In 1989 he took second place in the Red Rose competition for the best student in the Pomerania Region. Since the beginning of his career ha has been associated with Gdańsk University of Technology: research assistant (1989-1996), Assistant Professor (1996-2012),...
-
Stanisław Galla dr inż.
PeopleStanisław Galla was born in 1970 in Gdańsk. He graduated from the Secondary Technical School of Mechanical and Electrical Engineering in Gdansk (1990). He studied at the Faculty of Electrical Engineering at Gdansk University of Technology (graduated in 1996). His PhD thesis entitled "Methodology for increasing the accuracy of low frequency measurements of periodic disturbance indicators in low voltage networks" was defended in...
-
Mateusz Gerigk dr inż. arch.
PeopleMateusz Gerigk (PhD. D.Sc. Arch.), born 1987 in Gdynia. In 2006 he graduated from A. Mickiewicz High School No. 2 in Gdynia and Z. Noskowski Social School of Music II degree in Gdynia. In 2011 he graduated from the uniform Master's degree in Architecture and Urban Planning at the Faculty of Architecture of the Technical University of Gdansk. In 2018 he defended his doctorate in the field of Architecture and Urban Planning entitled...
-
Jacek Krenz dr hab. inż. arch.
PeopleJacek Krenz, born in 1948 in Poznań, Poland, is an academic architect and painter. He is a professor at Gdańsk University of Technology, Faculty of Architecture, taught also at University of Fine Arts in Poznań – both in Poland – and at Universidade da Beira Interior in Covilhã, Portugal. Charter member of The Polish Watercolour Society. He is a co-founder of the Wdzydze Artists’ Village in Kaszuby, Poland, where he works in his...
-
Electrostatic interactions in finite systems treated with periodic boundary conditions: Application to linear-scaling density functional theory
PublicationWe present a comparison of methods for treating the electrostatic interactions of finite, isolated systems within periodic boundary conditions (PBCs), within density functional theory (DFT), with particular emphasis on linear-scaling (LS) DFT. Often, PBCs are not physically realistic but are an unavoidable consequence of the choice of basis set and the efficacy of using Fourier transforms to compute the Hartree potential. In such...
-
Drilling couples and refined constitutive equations in the resultant geometrically non-linear theory of elastic shells
PublicationIt is well known that distribution of displacements through the shell thickness is non-linear, in general. We introduce a modified polar decomposition of shell deformation gradient and a vector of deviation from the linear displacement distribution. When strains are assumed to be small, this allows one to propose an explicit definition of the drilling couples which is proportional to tangential components of the deviation vector....
-
Social Convergence in Nordic NUTS-3 Regions
PublicationGeographical proximity, common historical roots and collaboration within the Nordic Council make the Nordic countries, often wrongly treated as monoliths. However, in reality, Nordic regions differ in terms of broadly defined social and economic development. Issues concerning the standard of living are one of the priorities of the Helsinki Treaty signed by Nordic countries. The main goal of this paper is to analyze the existence...
-
Generalized Pareto ranking bisection for computationally feasible multi-objective antenna optimization
PublicationMulti-objective optimization (MO) allows for obtaining comprehensive information about possible design trade-offs of a given antenna structure. Yet, executing MO using the most popular class of techniques, population-based metaheuristics, may be computationally prohibitive when full-wave EM analysis is utilized for antenna evaluation. In this work, a low-cost and fully deterministic MO methodology is introduced. The proposed generalized...
-
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...
-
Reliable data-driven modeling of high-frequency structures by means of nested kriging with enhanced design of experiments
PublicationData-driven (or approximation) surrogate models have been gaining popularity in many areas of engineering and science, including high-frequency electronics. They are attractive as a way of alleviating the difficulties pertinent to high computational cost of evaluating full-wave electromagnetic (EM) simulation models of microwave, antenna, and integrated photonic components and devices. Carrying out design tasks that involve massive...
-
Multi-objective design optimization of antenna structures using sequential domain patching with automated patch size deter-mination
PublicationIn this paper, a simple yet efficient and reliable technique for fully automated multi-objective design optimization of antenna structures using sequential domain patching (SDP) is discussed. The optimization procedure according to SDP is a two-step process: (i) obtaining the initial set of Pareto-optimal designs representing the best possible trade-offs between considered conflicting objectives, and (ii) Pareto set refinement...
-
Algorithm for Automatic Wear Estimation of Railway Contact Strips Based on 3D Scanning Results
PublicationElectric rail vehicles use current collection system which consists of overhead contact line and a current collector (pantograph) mounted on the roof of a vehicle. A pantograph is equipped with contact strips, which slide along the contact wire, ensuring steady electric contact. Contact strips are made of carbon layer, fixed to an aluminum carrier. The carbon layer wears down due to friction. Using overly worn contact strips increases...
-
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...
-
Kriging-assisted hybrid reliability design and optimization of offshore wind turbine support structure based on a portfolio allocation strategy
PublicationIn recent years, offshore wind power generation technology has developed rapidly around the world, making important contributions to the further development of renewable energy. When designing an Offshore Wind Turbine (OWT) system, the uncertainties in parameters and different types of constraints need to be considered to find the optimal design of these systems. Therefore, the Reliability-Based Design Optimization (RBDO) method...
-
Discrete identification of continuous non-linear and non-stationary dynamical systems that is insensitive to noise correlation and measurement outliers
PublicationThe paper uses specific parameter estimation methods to identify the coefficients of continuous-time models represented by linear and non-linear ordinary differential equations. The necessary approximation of such systems in discrete time in the form of utility models is achieved by the use of properly tuned `integrating filters' of the FIR type. The resulting discrete-time descriptions retain the original continuous parameterization...
-
Reduced-Cost Microwave Modeling Using Constrained Domains and Dimensionality Reduction
PublicationDevelopment of modern microwave devices largely exploits full-wave electromagnetic (EM) simulations. Yet, simulation-driven design may be problematic due to the incurred CPU expenses. Addressing the high-cost issues stimulated the development of surrogate modeling methods. Among them, data-driven techniques seem to be the most widespread owing to their flexibility and accessibility. Nonetheless, applicability of approximation-based...
-
Cost-Efficient Surrogate Modeling of High-Frequency Structures Using Nested Kriging with Automated Adjustment of Model Domain Lateral Dimensions
PublicationSurrogate models are becoming popular tools of choice in mitigating issues related to the excessive cost of electromagnetic (EM)-driven design of high-frequency structures. Among available techniques, approximation modeling is by far the most popular due to its versatility. In particular, the surrogates are exclusively based on the sampled simulation data with no need to involve engineering insight or problem-specific knowledge....
-
Cost-Efficient Bi-Layer Modeling of Antenna Input Characteristics Using Gradient Kriging Surrogates
PublicationOver the recent years, surrogate modeling has been playing an increasing role in the design of antenna structures. The main incentive is to mitigate the issues related to high cost of electromagnetic (EM)-based procedures. Among the various techniques, approximation surrogates are the most popular ones due to their flexibility and easy access. Notwithstanding, data-driven modeling of antenna characteristics is associated with serious...
-
Application of discrete wavelet transform in seismic nonlinear analysis of soil–structure interaction problems
PublicationSimulation of soil-structure interaction (SSI) effects is a time-consuming and costly process. However, ignoring the influence of SSI on structural response may lead to inaccurate results, especially in the case of seismic nonlinear analysis. In this paper, wavelet transform methodology has been utilized for investigation of the seismic response of soil-structure systems. For this purpose, different storey outrigger braced buildings...
-
Fundamentals of Data-Driven Surrogate Modeling
PublicationThe primary topic of the book is surrogate modeling and surrogate-based design of high-frequency structures. The purpose of the first two chapters is to provide the reader with an overview of the two most important classes of modeling methods, data-driven (or approx-imation), as well as physics-based ones. These are covered in Chap-ters 1 and 2, respectively. The remaining parts of the book give an exposition of the specific aspects...
-
Expedited Variable-Resolution Surrogate Modeling of Miniaturized Microwave Passives in Confined Domains
PublicationDesign of miniaturized microwave components is largely based on computational models, primarily, full-wave electromagnetic (EM) simulations. EM analysis is capable of giving an accurate account for cross-coupling effects, substrate and radiation losses, or interactions with environmental components (e.g., connectors). Unfortunately, direct execution of EM-based design tasks such as parametric optimization or uncertainty quantification,...
-
Two-photon double ionization of atoms in attosecond x-ray radiation fields
PublicationWe consider two-photon double ionization of helium with 100, 200, and 400 eV excess energy for the two ejected electrons, corresponding to photon energies of 89.5, 139.5, and 239.5 eV, respectively. We focus on the case of ultrashort pulses (two oscillations of the field) and develop an approach to calculate the two-photon transition matrix elements within the lowest order of the time-dependent perturbation theory. One of the...
-
Charge Distribution and Hyperfine Interactions in GdBa2Cu3O7 from First Principles
PublicationW rozdziale przedstawiono wyniki obliczeń "z zasad pierwszych" (''ab initio'') struktury elektronowej, rozkładu ładunku i struktury nadsubtelnej, w szczególności gradientu pola elektrycznego (EFG) i składnika kontaktowego pola nadsubtelnego (HFF), nadprzewodnika wysokotemperaturowego o wzorze GdBa2Cu3O7 (Gd123). Do obliczeń wykorzystano metodę FP-LAPW (full-potential linearized augmented plane wave). Efekty związane z oddziaływaniami...
-
Electron collisions with methyl-substituted ethylenes: Cross section measurements and calculations for 2-methyl–2-butene and 2,3-dimethyl–2-butene
PublicationWe report electron-scattering cross sections determined for 2-methyl–2-butene [(H3C)HC==C(CH3)2] and 2,3-dimethyl–2-butene [(H3C)2C=C(CH3)2] molecules. Absolute grand-total cross sections (TCSs) were measured for incident electron energies in the 0.5–300 eV range, using a linear electron-transmission technique. The experimental TCS energy dependences for the both targets appear to be very similar with respect to the shape. In each...
-
Social convergence in Nordic countries at regional level
PublicationResearch background: Geographical proximity, common historical roots and collaboration within the Nordic Council cause the Nordic countries to be often wrongly treated as monoliths. However, in reality, Nordic regions differ in terms of broadly defined social and economic development. Issues concerning the standard of living are one of the priorities of the Helsinki Treaty signed by Nordic countries. Purpose of the article: The...
-
Computational analysis of power-law fluids for convective heat transfer in permeable enclosures using Darcy effects
PublicationNatural convection is a complex environmental phenomenon that typically occurs in engineering settings in porous structures. Shear thinning or shear thickening fuids are characteristics of power-law fuids, which are non-Newtonian in nature and fnd wide-ranging uses in various industrial processes. Non-Newtonian fuid fow in porous media is a difcult problem with important consequences for energy systems and heat transfer. In this...