Wyniki wyszukiwania dla: Binary QSAR models - MOST Wiedzy

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Wyniki wyszukiwania dla: Binary QSAR models

Wyniki wyszukiwania dla: Binary QSAR models

  • Usefulness of chest perfusion computed tomography in the diagnosis of diabetic pulmonary microangiopathy

    This paper presents the usefulness of perfusion computed tomography (pCT) in the diagnosis of diabetic pulmonary microangiopathy. Our previous works have shown that perfusion parameters are useful in the diagnosis of diabetic pulmonary microangiopathy. We are looking for such measurements and perfusion parameters that provide the most accurate diagnosis. Two types of comparison were made based on the results of clinical trials:...

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  • Effect of cobalt addition on the corrosion behaviorof near equiatomic NiTi shape memory alloy in normal saline solution: electrochemical and XPS studies

    Publikacja

    - RSC Advances - Rok 2018

    The electrochemical and corrosion (uniform and localized) behavior of a binary Ni52Ti48 shape memory alloy (SMA) and two ternary Ni52Ti48-xCox (x = 1.5 and 4.0 wt.%) SMAs were studied. Measurements were conducted in 0.9% NaCl solution at 37 oC employing various electrochemical methods. These include: linear polarization resistance (LPR), linear sweep voltammetry (LSV), chronoamperometry and dynamic electrochemical impedance spectroscopy...

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  • Dissociative ionization dynamics of dielectric gas C3F7CN

    Publikacja
    • M. Ranković
    • J. Chalabala
    • M. Zawadzki
    • J. Kočišek
    • P. Slavíček
    • J. Fedor

    - PHYSICAL CHEMISTRY CHEMICAL PHYSICS - Rok 2019

    Fluoronitrile C3F7CN is a promising candidate for the replacement of SF6 dielectric gas in high-voltage insulation. We present a combined experimental and theoretical study on its ionization dynamics probed in the 0-100 eV energy range. We exploited the total ion collection technique to determine the absolute ionization cross section, mass spectrometry to determine the fragment branching ratios and ab initio nonadiabatic molecular...

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  • Visual TreeCmp : Comprehensive Comparison of Phylogenetic Trees on the Web

    Publikacja

    1. We present Visual TreeCmp—a package of applications for comparing phylogenetic tree sets. 2. Visual TreeCmp includes a graphical web interface allowing the visualization of compared trees and command line application extended by comparison methods recently proposed in the literature. 3. The phylogenetic tree similarity analysis in Visual TreeCmp can be performed using eighteen metrics, of which 11 are dedicated to rooted trees...

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  • Simulation of perovskite-based CuI/CH3NH3PbI3/TiO2 solar cell performance

    Dane Badawcze
    open access

    The presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/TiO2 model structure (Model 1) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/). 

  • Simulation of perovskite-based CuI/CH3NH3PbI3/SnO2 solar cell performance

    Dane Badawcze
    open access

    The presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/SnO2 model structure (Model 2) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/). 

  • Simulation of perovskite-based CuI/CH3NH3PbI3/ZnO solar cell performance

    Dane Badawcze
    open access

    The presented data set is part of the theoretical research on novel thin-layer lead-halide perovskite solar cells with different inorganic transparent conductive oxides used as charge transport layers. In this study CuI/CH3NH3PbI3/ZnO model structure (Model 3) was investigated by the use of the SCAPS-1D simulation method (https://scaps.elis.ugent.be/). 

  • Data-driven, probabilistic model for attainable speed for ships approaching Gdańsk harbour

    Publikacja

    The growing demand for maritime transportation leads to increased traffic in ports. From this arises the need to observe the consequences of the specific speed ships reach when approaching seaports. However, usually the analyzed cases refer only to the statistical evaluation of the studied phenomenon or to the empirical modelling, ignoring the mutual influence of variables such as ship type, length or weather conditions. In this...

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  • Modeling of entrained flow steam gasification of sewage sludge

    Publikacja
    • J. Mularski
    • K. Stasiak
    • M. Ostrycharczyk
    • M. Czerep
    • M. Wnukowski
    • K. Krochmalny
    • M. Baranowski
    • P. Ziółkowski
    • M. Kowal
    • Ł. Niedźwiecki... i 2 innych

    - Rok 2023

    Proper management of sewage sludge becomes increasingly problematic due to legal requirements aiming at diminishing environmental impact, as well as rationalizing the utilization from the point of view of logistics. Steam gasification of sewage sludge can result in very good quality of the producer gas. So far, the works have been focused on the gasification in fixed bed gasifiers. However, this does not allow to take full advantage...

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  • Dynamic Bayesian Networks for Symbolic Polyphonic Pitch Modeling

    Publikacja

    Symbolic pitch modeling is a way of incorporating knowledge about relations between pitches into the process of an- alyzing musical information or signals. In this paper, we propose a family of probabilistic symbolic polyphonic pitch models, which account for both the “horizontal” and the “vertical” pitch struc- ture. These models are formulated as linear or log-linear interpo- lations of up to fi ve sub-models, each of which is...

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  • Modelling the time-dependent behaviour of soft soils

    Time-dependence of soft soils has already been thoroughly investigated. The knowledge on creep and relaxation phenomena is generally available in the literature. However, it is still rarely applied in practice. Regarding the organic soils, geotechnical engineers mostly base their calculations on the simple assumptions. Yet, as presented within this paper, the rate-dependent behaviour of soft soils is a very special and important...

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  • Application of fracture mechanics for energetic effects predictions while wood sawing

    Publikacja

    - Rok 2011

    In the classical approach, energetic effects (cutting forces and cutting power) of wood sawing process are generally calculated on the basis of the specific cutting resistance, which is in the case of wood cutting the function of more or less important factors. On the other hand, cutting forces (power) could be considered from a point of view of modern fracture mechanics. Cutting forces may be employed to determine not only toughness...

  • Dobór parametrów silnika indukcyjnego dużej mocy

    W artykule przedstawiono trzy typy statycznych modeli matematycznych silników klatkowych oraz metodę estymacji parametrów, przy wykorzystaniu algorytmów genetycznych. Korzystając z kryteriów: suma kwadratów, suma wartości bez-względnych oraz całkowego, oceniono przydatność badanych modeli. Opracowane modele matematyczne zostały wykorzystane przy doborze algorytmów sterownia sterów strumieniowych. Po-kazano metodykę doboru parametrów...

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  • Approximation of Message Inter-Arrival and Inter-Departure Time Distributions in IMS/NGN Architecture Using Phase-Type Distributions

    Currently it is assumed that requirements of the information society for delivering multimedia services will be satisfied by the Next Generation Network (NGN) architecture, which includes elements of the IP Multimedia Subsystem (IMS) solution. In order to guarantee Quality of Service (QoS), NGN has to be appropriately designed and dimensioned. Therefore, proper traffic models should be proposed and applied. This requires determination...

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  • ADT in mammography

    Publikacja

    We discuss limitations of the known methods of IR imaging in diagnostics of breast cancer. In conclusion we show that for practical reasons one requires new approaches because the known methods based on simple observation of external temperature distribution are not fully effective. Even advanced pattern recognition could not help too much for static images. We ask the question: may active dynamic thermography, known in nondestructive...

  • Modeling SARS‐CoV‐2 proteins in the CASP‐commons experiment

    Publikacja
    • A. Kryshtafovych
    • J. Moult
    • W. M. Billings
    • D. Della Corte
    • K. Fidelis
    • S. Kwon
    • K. Olechnovič
    • C. Seok
    • Č. Venclovas
    • J. Won... i 79 innych

    - PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS - Rok 2021

    Critical Assessment of Structure Prediction (CASP) is an organization aimed at advancing the state of the art in computing protein structure from sequence. In the spring of 2020, CASP launched a community project to compute the structures of the most structurally challenging proteins coded for in the SARS-CoV-2 genome. Forty-seven research groups submitted over 3000 three-dimensional models and 700 sets of accuracy estimates on...

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  • Low harmonic multipulse voltage converters using coupled reactors

    Publikacja

    - Rok 2016

    This paper presents a novel approach to the multi pulse voltage converters (VC), especially voltage source inverters (VSI) and matrix converters (MC) based on several typical identical modules connected in parallel using coupled reactors. Such arrangements resulting in lower voltage distortions at extremely low switching frequency. The proposed arrangement was validated by simulation. Laboratory models of 18- and 24pulse 3-level...

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  • Numerical solution analysis of fractional point kinetics and heat exchange in nuclear reactor

    The paper presents the neutron point kinetics and heat exchange models for the nuclear reactor. The models consist of a nonlinear system of fractional ordinary differential and algebraic equations. Two numerical algorithms are used to solve them. The first algorithm is application of discrete Grünwald-Letnikov definition of the fractional derivative in the model. The second involves building an analog scheme in the FOMCON Toolbox...

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  • On constitutive modeling for technical woven fabric

    Publikacja

    W pracy przestawiono kilka modeli konstytutywnych przyjmowanych do opisu zachowania się tkanin technicznych. Oprócz modeli zaczerpniętych z literatury autorzy prezentują własną koncepcje modelu stanowiąca rozszerzenie modelu sieci gęstej.This paper describes several types of the constitutive models used for the technical woven fabric description. Besides of the literatures examples of the constitutive models, the authors presented...

  • Ocean mixed layer dynamics: high-resolution simulations of wind, wave and convective effects

    Dane Badawcze
    open access

    This dataset contains results of high-resolution numerical simulations of the ocean mixed layer (OML) forced by wind, waves and cooling from the atmosphere, i.e., under strongly turbulent, convective conditions. The goal is to provide detailed, three-dimensional information about OML circulation, turbulent kinetic energy, and temperature and salinity...

  • Detecting type of hearing loss with different AI classification methods: a performance review

    Publikacja
    • M. Kassjański
    • M. Kulawiak
    • T. Przewoźny
    • D. Tretiakow
    • J. Kuryłowicz
    • A. Molisz
    • K. Koźmiński
    • A. Kwaśniewska
    • P. Mierzwińska-Dolny
    • M. Grono

    - Rok 2023

    Hearing is one of the most crucial senses for all humans. It allows people to hear and connect with the environment, the people they can meet and the knowledge they need to live their lives to the fullest. Hearing loss can have a detrimental impact on a person's quality of life in a variety of ways, ranging from fewer educational and job opportunities due to impaired communication to social withdrawal in severe situations. Early...

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  • Assessing the attractiveness of human face based on machine learning

    Publikacja

    The attractiveness of the face plays an important role in everyday life, especially in the modern world where social media and the Internet surround us. In this study, an attempt to assess the attractiveness of a face by machine learning is shown. Attractiveness is determined by three deep models whose sum of predictions is the final score. Two annotated datasets available in the literature are employed for training and testing...

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  • Numerical Model of Femur Part

    The aim of the study is to create a new more accurate method of femur part modelling by using the finite element method. According to this new method, a femur part is treated as a complex structure composed of trabecular bone (internal part) and cortical bone (external part). The internal part is modelled as a scaffold, thus the external part is modelled as a coat (i.e. covering). Applying the programme ABAQUS, there were created...

  • Data-Driven Modeling of Mechanical Properties of Fiber-Reinforced Concrete: A Critical Review

    Publikacja

    - ARCHIVES OF COMPUTATIONAL METHODS IN ENGINEERING - Rok 2024

    Fiber-reinforced concrete (FRC) is extensively used in diverse structural engineering applications, and its mechanical properties are crucial for designing and evaluating its performance. The compressive, flexural, splitting tensile, and shear strengths of FRCs are among the most important attributes, which have been discussed more extensively than other properties. The accurate prediction of these properties, which are required...

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  • Chained machine learning model for predicting load capacity and ductility of steel fiber–reinforced concrete beams

    Publikacja
    • T. Shafighfard
    • F. Kazemi
    • F. Bagherzadeh
    • M. Mieloszyk
    • D. Yoo

    - COMPUTER-AIDED CIVIL AND INFRASTRUCTURE ENGINEERING - Rok 2024

    One of the main issues associated with steel fiber–reinforced concrete (SFRC) beams is the ability to anticipate their flexural response. With a comprehensive grid search, several stacked models (i.e., chained, parallel) consisting of various machine learning (ML) algorithms and artificial neural networks (ANNs) were developed to predict the flexural response of SFRC beams. The flexural performance of SFRC beams under bending was...

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  • Reliable data-driven modeling of high-frequency structures by means of nested kriging with enhanced design of experiments

    Data-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...

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  • Improving the procedure of probabilistic load testing design of typical bridges based on structural response similarities

    Publikacja

    This paper concerns load testing of typical bridge structures performed prior to operation. In-situ tests of a two-span post-tensioned bridge loaded with three vehicles of 38-ton mass each formed the input of this study. On the basis of the results of these measurements, an advanced FEM model of the structure was developed for which the sensitivity analysis was performed for chosen uncertainty sources. Three uncorrelated random...

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  • Modelowanie podziału zadań przewozowych w obszarach zurbanizowanych

    Publikacja

    - Rok 2018

    Niniejsza rozprawa doktorska dotyczy problematyki modelowania podziału zadań przewozowych w procesie modelowania podróży. Wykonane analizy wykazały zasadność zastosowania dodatkowych czynników w modelowaniu wyboru środka transportu z uwagi na ich istotny wpływ na jakość modelu dla wybranych motywacji podróży. W pracy zawarto przykładowe modele uwzględniające każdy z analizowanych czynników. Z wykorzystaniem badań heurystycznych...

  • Expedited constrained multi-objective aerodynamic shape optimization by means of physics-based surrogates

    Publikacja

    - APPLIED MATHEMATICAL MODELLING - Rok 2016

    In the paper, computationally efficient constrained multi-objective design optimization of transonic airfoil profiles is considered. Our methodology focuses on fixed-lift design aimed at finding the best possible trade-offs between the two objectives: minimization of the drag coefficient and maximization of the pitching moment. The algorithm presented here exploits the surrogate-based optimization principle, variable-fidelity computational...

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  • Design analysis of Tesla micro-turbine operating on a low-boiling medium

    Publikacja

    - Polish Maritime Research - Rok 2009

    This paper presents results of the design analysis of a Tesla bladeless turbine intended for a co-generating micro-power plantof heat capacity 20 kW, which operates in an organic Rankine cycle on a low-boiling medium. Numerical calculations of flowin several Tesla turbine models were performed for a range of design parameters. Results of investigations exhibit interestingfeatures in the distribution of flow parameters within the...

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  • Studies of the mechanism of metal metal dusting of 10CrMo9-10 steel after 10 years of operation in trhe semi-regenerative catalytic reformer

    Publikacja

    The study showed that metal dusting mechanism of 10CrMo9-10 steel operated in industrial environment differs from models developed in laboratories. Significant differences lie in the fact that the models developed in laboratories only assume the formation of metastable carbide M3C, while studies have shown that the formation of M3C carbides is associated with the transformation of primary carbides and in the next stage is preceded...

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  • River flow simulation based on the HEC-RAS system

    Publikacja

    This work considers the problem of river floods, and presents a computer solution that can be used to predict such a threat. The basic tool, called Hydrologic Engineering Centers for River Analysis System (HEC-RAS), and created by the US Army Corps of Engineering, is well developed; and the models created in the system HEC-RAS are quite realistic. For the purpose of solving practical national flood problems, simplified static and...

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  • River Flow Simulation Based on the HEC-RAS System

    This work considers the problem of river floods, and presents a computer solution that can be used to predict such a threat. The basic tool, called Hydrologic Engineering Centers for River Analysis System (HEC-RAS), and created by the US Army Corps of Engineering, is well developed; and the models created in the system HEC-RAS are quite realistic. For the purpose of solving practical national flood problems, simplified static and...

    Pełny tekst do pobrania w serwisie zewnętrznym

  • Recognizing emotions on the basis of keystroke dynamics

    Publikacja

    - Rok 2015

    The article describes a research on recognizing emotional states on the basis of keystroke dynamics. An overview of various studies and applications of emotion recognition based on data coming from keyboard is presented. Then, the idea of an experiment is presented, i.e. the way of collecting and labeling training data, extracting features and finally training classifiers. Different classification approaches are proposed to be...

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  • Modal properties identification of a novel sandwich footbridge – Comparison of measured dynamic response and FEA

    A modern sandwich composite footbridge made of high-tech materials, being an example of practical application of laminated composites in civil engineering, is presented. The in situ non-destructive testing of the footbridge, aiming to identify modal properties and pedestrian comfort, is described. The measured eigenmodes and eigenfrequencies are compared with numerically estimated values. Finite element analyses of the footbridge...

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  • Cough influence on fascia-mesh system built for a hernia repair - an experimental research

    An experimental approach to identify stronger and weaker fixation schemes in laparoscopic ventral hernia repair is presented in the paper. Two types of implants, whose mechanical properties are significantly different and five kinds of connectors are considered. Physical models of operated hernia have been built using those materials and porcine abdominal tissue. The models have been subjected to dynamic impulse load, similar to...

  • The use of machine learning for face regions detection in thermograms

    Publikacja

    - Rok 2022

    The aim of this study is to analyse the methods of detecting characteristic points of the face in thermographic images. As part of the implementation an extensive analysis of scientific publications covering similar issues both for the analysis of images made in visible light and thermographic images was carried out. On the basis of this analysis, 3 models were selected and then they were implemented and tested on the basis of...

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  • Integrated membrane bioreactors modelling: A review on new comprehensive modelling framework

    Publikacja
    • J. Mąkinia
    • G. Mannina
    • M. Alliet
    • C. Brepols
    • J. Comas
    • J. Harmand
    • M. Heran
    • N. Kalboussi
    • Á. Robles
    • F. T. Rebouças... i 5 innych

    - BIORESOURCE TECHNOLOGY - Rok 2021

    Integrated Membrane Bioreactor (MBR) models, combination of biological and physical models, have been representing powerful tools for the accomplishment of high environmental sustainability. This paper, produced by the International Water Association (IWA) Task Group on Membrane Modelling and Control, reviews the state-of-the-art, identifying gaps for future researches, and proposes a new integrated MBR modelling framework. In...

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  • Count Data Modeling About Relationship Between Dubai Housing Sales Transactions and Financial Indicators

    Publikacja

    - Rok 2017

    In this study, illustrating and comparing the performances of count data models such as Poisson, negative binomial (NB), Hurdle and zero-inflated models for the determination of factors affected housing sales in Dubai. Model comparisons are made via Akaike’s information criterion (AIC), the Vuong test and examining the residuals. Main purpose of this study is building reliable statistical model for relationship between Dubai housing...

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  • Intercomparison of TEC obtained from the IRI model to the one derived from GPS measurements

    Publikacja

    - ADVANCES IN SPACE RESEARCH - Rok 2002

    IRI (International Reference Ionosphere) is a well-known standard of the ionosphere, but nowadays GPS permanent observations are also the base of the regional and global ionosphere models. In this paper, comparison of TEC (Total Electron Content) derived from the IRI model to the global TEC parameters derived from GPS measurements is presented. Global TEC maps show, that GPS derived ionosphere models, in opposition to the IRI,...

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  • A Goal-Oriented Error Estimator for Reduced Basis Method Modeling of Microwave Devices

    This letter proposes a novel a-posteriori error estimator suitable for the reduced order modeling of microwave circuits. Unlike the existing error estimators based on impedance function residuals, the new one exploits the residual error associated with the computation of the scattering matrix. The estimator can be effectively used in the Reduced Basis Method (RBM) to automatically generate reduced-order models. The results of numerical...

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  • Quality Parameters in IMS/NGN Networks

    Publikacja

    - Rok 2019

    The Next Generation Network (NGN) architecture, including elements of the IP Multimedia Subsystem (IMS) concept, is a proposition of a telecommunication network dedicated to the needs of current and future information society. The main goal of NGN is to provide Quality of Service (QoS), for which proper network design is necessary with respect to among others standardized call processing performance parameters, including expected...

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  • Knowledge-Based Virtual Modeling and Simulation of Manufacturing Processes for Industry 4.0

    Publikacja

    - CYBERNETICS AND SYSTEMS - Rok 2020

    ABSTRACT Industry 4.0 aims at providing a digital representation of a production landscape, but the challenges in building, maintaining, optimizing, and evolving digital models in inter-organizational production chains have not been identified yet in a systematic manner. In this paper, various Industry 4.0 research and technical challenges are addressed, and their present scenario is discussed. Moreover, in this article, the novel...

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  • Application of Fracture Mechanics for Energetic Effects Predictions While Wood Sawing

    Publikacja

    - WOOD SCIENCE AND TECHNOLOGY - Rok 2013

    In the classical approach, energetic effects (cutting forces and cutting power) of wood sawing process are generally calculated on the basis of the specific cutting resistance, which is in the case of wood cutting the function of more or less important factors. On the other hand, cutting forces (or power - more interesting from energetic point of view) could be considered from a point of view of modern fracture mechanics. Cutting...

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  • Numerical modelling and analysis of steel specimens subjected to marine immersed corrosion and tensile load

    Publikacja

    - Rok 2022

    The present study develops numerical models to analyse the behaviour of steel specimens subjected to marine immersed corrosion degradation and tensile load. The finite element method with the use of the explicit dynamic solver LS-DYNA, satisfying the quasi-static conditions, is employed. Two numerical models are developed, where in the first one, the scans of surfaces gathered from corroded plate specimens are implemented directly...

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  • Using FreeFEM open software for modelling the vibrations of piezoelectric devices

    Modelling vibrations of piezoelectric transducers has been a topic discussed in the literature for many decades. The first models - so-called one-dimensional - describe the vibrations only near operating frequency and near its harmonics. Attempts to introduce two-dimensional models were related to the possibility of one transducer working at several frequencies, including both thickness vibrations and those resulting from the transducer...

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  • Modelling reinforced concrete beams under mixed shear-tension failure with different continuous FE approaches

    The paper presents quasi-static numerical simulations of the behaviour of short reinforced concrete beams without shear reinforcement under mixed shear-tension failure using the FEM and four various constitutive continuum models for concrete. First, an isotropic elasto-plastic model with a Drucker-Prager criterion defined in compression and with a Rankine criterion defined in tension was used. Next, an anisotropic smeared crack...

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  • Mariusz Franciszek Kaszubowski dr

    Biogram Mariusz Kaszubowski jest adiunktem w Katedrze Statystyki i Ekonometrii Wydziału Zarządzania i Ekonomii Politechniki Gdańskiej. Prowadzi zajęcia ze statystyki opisowej i matematycznej, a także statystyki społecznej i statystyki ubezpieczeniowej. Wykłada również statystykę na podyplomowych studiach z kontroli jakości „Lean Six Sigma Black Belt”. Jest absolwentem dwóch kierunków studiów: Zarządzania (specjalność Statystyka...

  • Geometric analogue of holographic reduced representation

    Publikacja

    - Journal of Mathematical Psychology - Rok 2009

    Holographic reduced representations (HRRs) are distributed representations of cognitive structuresbased on superpositions of convolution-bound n-tuples. Restricting HRRs to n-tuples consisting of 1,one reinterprets the variable binding as a representation of the additive group of binary n-tupleswith addition modulo 2. Since convolutions are not defined for vectors, the HRRs cannot be directlyassociated with geometric structures....

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  • Energetics of formation and stability in high pressure steam of barium lanthanide cobaltite double perovskites

    Publikacja

    - DALTON TRANSACTIONS - Rok 2023

    This study concerns energetics of formation and the stability in high water partial pressure of BaLnCo2O6−δ, (Ln = La, Pr, Nd, and Gd) (BLnC) and BaGd1−xLaxCo2O6−δ, where x = 0.2, 0.5, and 0.7 (BGLC) double perovskite cobaltites. Those materials are extensively studied due to their potential applications as a positrode in electrochemical devices. Therefore, their stability under such conditions is a key issue. All investigated...

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