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Large-scale DFT calculations in implicit solvent-A case study on the T4 lysozyme L99A/M102Q protein
PublikacjaW ostatnich latach zaproponowano szereg modeli typu implicit solvent, ktore bazują na bezpośrednim rozwiązaniu niejednorodnego równania Poissona w przestrzeni rzeczywistej. Modele te charakteryzują się elegancją, ponieważ wnęka, w której umieszczona jest molekuła substancji rozpuszczanej zdefiniowana jest bezpośrednio w funkcji gęstości elektronowej, a rozkład ładunku jest w sposób samouzgodniony polaryzowany dzięki reakcji dielektryka,...
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Charge density wave, enhanced mobility, and large nonsaturating magnetoresistance across the magnetic states of HoNiC2 and ErNiC2
PublikacjaWe report on magnetotransport and thermoelectric properties of two ternary carbides HoNiC2 and ErNiC2 hosting both charge density wave and long-range magnetic order. In the charge density wave state, both compounds show relatively large magnetoresistance MR ≈ 150% in HoNiC2 and ≈ 70%in ErNiC2 at a magnetic field of 9 T and temperature as low as 2 K. This positive field-linear magnetoresistance shows no signatures of saturation....
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Inverse Analysis as a Key Element of Safety Assessment under the Snow Load For The Large Suspension Roofs Structure
PublikacjaThe paper presents a concept and realization of monitoring system for the Silesian Stadium in Chorzow. The idea of the system lies in fusion of structure monitoring with a calibrated numerical FEM model [1]. The inverse problem is solved. On the base of measured selected displacements, the numerical FEM model of the structure combined with iterative method, develops the current snow load distribution. Knowing the load, we can calculate...
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A method of predicting the best conditions for large-size workpiece clamping to reduce vibration in the face milling process
PublikacjaThe paper presents an innovative method of solving the problem of vibration suppression during milling of large-size details. It consists in searching for the best conditions for clamping the workpiece based on a rapid modal identification of the dominant natural frequencies only and requires repetitive changes in the tightening torque of the clamping screws. Then, by estimating the minimum work of the cutting forces acting in...
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Design and implementation of an illumination system to mimic skyglow at ecosystem level in a large‐scale lake enclosure facility
PublikacjaLight pollution is an environmental stressor of global extent that is growing exponentially in area and intensity. Artificial skyglow, a form of light pollution with large range, is hypothesized to have environmental impact at ecosystem level. However, testing the impact of skyglow at large scales and in a controlled fashion under in situ conditions has remained elusive so far. Here we present the first experimental setup to mimic...
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The Staged Combustion of Meat-and-Bone Meal:The Characteristics of Conversion Sub-processes and Large-Scale Process Outputs
Publikacjat Organic waste has been playing an increasingly important role in the energy market as those that may support the economies in pursuing towards decarbonization by increasing the share of renewables in the overall energy balance. In this group of alternative fuels, meat-and-bone meals being a post-production waste of the steadily developing meat industry, constitute a considerable proportion. Though they are rich in minerals, their...
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Experiment-aided virtual prototyping to minimize tool-workpiece vibration during boring of large-sized structures
PublikacjaThe paper presents the author's method of solving the problems of vi-bration suppression during boring of large-sized workpieces by means of an in-novative method of adjusting the rotational speed of the boring bar. It consists in selecting the spindle speed in accordance with the results of the cutting process simulation. The method includes identification of the model of the finite element method of the boring bar. The Root Mean...
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Synthesis of π-extended and bowl-shaped sumanene–ferrocene conjugates and their application in highly selective and sensitive cesium cations electrochemical sensors
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Energy resolution and light yield non-proportionality of ZnSe:Te scintillator studied by large area avalanche photodiodes and photomultipliers
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Large scale complementary solar and wind energy sources coupled with pumped-storage hydroelectricity for Lower Silesia (Poland)
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Bulky ligands shape the separation between the large spin carriers to condition field-induced slow magnetic relaxation
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A systematic approach to understand hydrogeochemical dynamics in large river systems: Development and application to the River Ganges (Ganga) in India
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Large deformations formulation and elastic instability of single layer nanoplate embedded on polymer medium in nonlocal continuum mechanic
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Modeling two phase flow in large scale fractured porous media with an extended multiple interacting continua method
PublikacjaWe present a two phase flow conceptual model, the corresponding simulator (2pMINC) and a workflow for large-scale fractured reservoirs, based on a continuum fracture approach which uses the multiple interacting continua (MINC) method complemented with an improved upscaling technique. The complex transient behavior of the flow processes in fractured porous media is captured by subgridding the coarse blocks in nested volume elements...
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Performance of various risk prediction models in a large lung cancer screening cohort in Gdańsk, Poland—a comparative study
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Regarding to functional outcomes after extracapsular dissection with partial facial nerve dissection for small and large parotid neoplasms
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Extension of the Unres Package for Physics-Based Coarse-Grained Simulations of Proteins and Protein Complexes to Very Large Systems
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Application of the finite element methods in long-term simulation of the multi-physics systems with large transient response differences
PublikacjaApplication of the Finite Element Method (FEM) and the Multibody Dynamics Method allows analyzing of complex physical systems. Complexity of the system could be related both to the geometry and the physical description of phenomenon. The metod is the excellent tool for analyzing statics or dynamics of the mechanical systems, and permits tracking of Multi Body System (MBS) transient response for the long-term simulations and application...
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Large-Scale and Low-Cost Motivation of Nitrogen-Doped Commercial Activated Carbon for High-Energy-Density Supercapacitor
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Large-scale converting waste coffee grounds into functional carbon materials as high-efficient adsorbent for organic dyes
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Distributed System for Monitoring of the Large Scale Infrastructure Structures Based on Analysis of Changes of its Static and Dynamic Properties
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Analysis of possible application of high-temperature nuclear reactors to contemporary large-output steam power plants on ships
PublikacjaThis paper is aimed at analysis of possible application of helium to cooling high-temperature nuclear reactor to be used for generating steam in contemporary ship steam-turbine power plants of a large output with taking into account in particular variable operational parameters. In the first part of the paper types of contemporary ship power plants are presented. Features of today applied PWR reactors and proposed HTR reactors...
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Trustworthiness and Subversion in Large Service- Oriented Multi-Agent Systems under Virtual Anonymity and Blind Provider Selection
PublikacjaTo promote honest service provision in multi-agent systems, a Computational Trustworthiness and Rating scheme collects service ratings and computes agents' trustworthiness levels (TLs). Studies of existing schemes fail to reflect closed-loop dynamics of TLs arising from the mutual influence of agents' behavior and TLs, and to capture relevant properties. Recent simulative and analytical models produce results tied to a particular...
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Effect of dietary inclusion of 1% or 3% of native chicory inulin on the large intestinal mucosa proteome of growing pigs
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Optimization of the spindle speed during milling of large-sized structures with the use of technique of Experiment-Aided Virtual Prototyping
PublikacjaIn the paper are presented considerations concerning vibration suppression problems during milling of large-sized workpieces with the use of innovative method of matching the spindle speed of cutting tool. It depends on repeatable change of the spindle speed value as soon as the optimal vibration state of the workpiece approaches. The values of dominant “peaks” in the frequency spectra and the Root Mean Square (RMS) values of time...
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Integrated plant-wide modelling for evaluation of the energy balance and greenhouse gas footprint in large wastewater treatment plants
PublikacjaModern wastewater treatment plants (WWTPs) should maintain a balance between three combined sustainability criteria, including effluent quality, energy performance and greenhouse gas (GHG) emissions. All of these criteria were considered in the integrated plant-wide model developed in this study. The proposed model incorporates new features, including: (i) the addition of associated facilities to the overall energy balance and...
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Growth and Isolation of Large Area Boron‐Doped Nanocrystalline Diamond Sheets: A Route toward Diamond‐on‐Graphene Heterojunction
PublikacjaMany material device applications would benefit from thin diamond coatings, but current growth techniques, such as chemical vapor deposition (CVD) or atomic layer deposition require high substrate and gas‐phase temperatures that would destroy the device being coated. The development of freestanding, thin boron‐doped diamond nanosheets grown on tantalum foil substrates via microwave plasma‐assisted CVD is reported. These diamond...
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Stock Markets’ Reactions to the Announcement of the Hosts. An Event Study in the Analysis of Large Sporting Events in the Years 1976–2032
PublikacjaThis study attempts to estimate the impact of the announcements of hosts of large sporting events on domestic stock markets. The research problem is to establish a connection between the uniqueness of a sporting event and investors’ beliefs through stock price behavior. Using appropriate estimation windows, 13 different sporting events classified as large, including mega and major events, were tested. The obtained results show...
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3D MONITORING � IDENTIFICATION OF MEASUREMENT PROBLEMS AT LARGER MOVEMENTS OF THE TRACKED POINTS
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3D Monitoring - Identification of measurement problems at larger movements of the tracked points
PublikacjaAuthors identified the problems associated with the determination of the controlled points coordinates by use of automated Total Station placed behind transparent barrier. Important thing in the mentioned analysis was a large change of controlled points position and not stable Total Station’s stand (because of stand’s thermal drift). This two elements, combined with measurement made through glass plate determine the need for impact...
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Large eddy simulations of wall-bounded flows using a simplified immersed boundary method and high-order compact schemes
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Influence of Installation Effects on Pile Bearing Capacity in Cohesive Soils – Large Deformation Analysis Via Finite Element Method
PublikacjaIn this paper, the whole process of pile construction and performance during loading is modelled via large deformation finite element methods such as Coupled Eulerian Lagrangian (CEL) and Updated Lagrangian (UL). Numerical study consists of installation process, consolidation phase and following pile static load test (SLT). The Poznań site is chosen as the reference location for the numerical analysis, where series of pile SLTs...
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Experimental and model-based evaluation of the role of denitrifying polyphosphate accumulating organisms at two large scale WWTPs in northern Poland
PublikacjaW pracy dokonano oceny zdolności denitryfikacyjnych bakterii fosforowych na przykładzie oczyszczalni ścieków ''Wschód'' w Gdańsku i ''Dębogórze'' w Gdyni. W tym celu wykonano serię testów z wykorzystaniem tzw. reaktora ''wsadowego'', które następnie były modelowane za pomocą modelu ASM2d. Badania wykazały, że tylko 32% bakterii fosforowych posiada zdolność do denitryfikacji. Szybkość denitryfikacji związana z aktywnością bakterii...
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Tuning a Hybrid GPU-CPU V-Cycle Multilevel Preconditioner for Solving Large Real and Complex Systems of FEM Equations
PublikacjaThis letter presents techniques for tuning an accelerated preconditioned conjugate gradient solver with a multilevel preconditioner. The solver is optimized for a fast solution of sparse systems of equations arising in computational electromagnetics in a finite element method using higher-order elements. The goal of the tuning is to increase the throughput while at the same time reducing the memory requirements in order to allow...
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Highly efficient organic electrophosphorescent light-emitting diodes with a reduced quantum efficiency roll off at large current densities.
PublikacjaW pracy opisano diody elektrofosforescencyjne zbudowane na bazie organicznych komplesów platyny PtOEP oraz Pt(thpy)2. Pokazano, ze mechanizmem ograniczjącym wydajność świecenia tych diod w zakresiedużych prądów elektycznych jest elektrycznopolowa dysocjacja ekscytonutrypletowego z transferem dziury na molekułę TPD.
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Benchmarking Performance of a Hybrid Intel Xeon/Xeon Phi System for Parallel Computation of Similarity Measures Between Large Vectors
PublikacjaThe paper deals with parallelization of computing similarity measures between large vectors. Such computations are important components within many applications and consequently are of high importance. Rather than focusing on optimization of the algorithm itself, assuming specific measures, the paper assumes a general scheme for finding similarity measures for all pairs of vectors and investigates optimizations for scalability...
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An Experimentally Aided Operational Virtual Prototyping to Obtain the Best Spindle Speed during Face Milling of Large-Size Structures
PublikacjaAbstract: The paper presents an original method concerning the problem of vibration reduction in the general case while milling large-size and geometrically complex details with the use of an innovative approach to the selection of spindle speed. A computational model is obtained by applying the so-called operational approach to identify the parameters of the workpiece modal model. Thanks to the experimental modal analysis results,...
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A technique of experiment aided virtual prototyping to obtain the best spindle speed during face milling of large-size structures
PublikacjaThe paper presents an original method concerning vibration suppression problem during milling of large-size and geometrically complicated workpieces with the use of novel way of selecting the spindle speed. This consists in repetitive simulations of the cutting process for subsequent values of the spindle speed, until the best vibration state of the workpiece is reached. An appropriate method of obtaining a computational model,...
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Organic Vapor Sensing Mechanisms by Large-Area Graphene Back-Gated Field-Effect Transistors under UV Irradiation
PublikacjaThe gas sensing properties of graphene back-gated field-effect transistor (GFET) sensors toward acetonitrile, tetrahydrofuran, and chloroform vapors were investigated with the focus on unfolding possible gas detection mechanisms. The FET configuration of the sensor device enabled gate voltage tuning for enhanced measurements of changes in DC electrical characteristics. Electrical measurements were combined with a fluctuation-enhanced...
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An innovative method of measuring the extension of the piston rod in hydraulic cylinders, especially large ones used in the shipbuilding and offshore industry
PublikacjaThe article presents the results of selected works related to the wider subject of research conducted at the Faculty of Mechanical Engineering and Shipbuilding at the Gdańsk University of Technology, regarding designing various on board devices with hydraulic drive for ships and other offshore facilities. One of the commonly used these mechanisms are hydraulic actuators with the measurement of the piston rod extension. The issue...
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Challenges of Large Applications in Distributed Environments
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International Conference on Very Large Databases
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Radiation Therapy-Related Changes in Serum Proteome Patterns Are Affected by Medium Doses of Radiation Delivered to Large Volumes of Normal Tissue
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Foraging habitats and niche partitioning of European large herbivores during the Holocene – Insights from 3D dental microwear texture analysis
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Single-agent MOR208 salvage and maintenance therapy in a patient with refractory/relapsing diffuse large B-cell lymphoma: a case report
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Deformation of thin metal and composite sheets by using anti-buckling fixture for large deformation under tension–compression cyclic loading
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Local variability in snow concentrations of chlorinated persistent organic pollutants as a source of large uncertainty in interpreting spatial patterns at all scales
PublikacjaSingle point sampling, a widespread practice in snow studies in remote areas, due to logistical constraints, can present an unquantified error to the final study results. The low concentrations of studied chemicals, such as chlorinated persistent organic pollutants, contribute to the uncertainty. We conducted a field experiment in the Arctic to estimate the error stemming from differences in the composition of snow at short distances...
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Jacek Rak dr hab. inż.
OsobyJacek Rak uzyskał stopień doktora habilitowanego nauk technicznych w dyscyplinie telekomunikacji (specjalność: teleinformatyka) w 2016 r., a stopień doktora nauk technicznych w dyscyplinie informatyka w 2009 r. Obecnie jest pracownikiem naukowo-dydaktycznym Katedry Teleinformatyki Wydziału Elektroniki, Telekomunikacji i Informatyki Politechniki Gdańskiej. Jego działalność naukowa koncentruje się w obszarze doboru tras, projektowania...
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Michał Grochowski dr hab. inż.
OsobyProfessor and a Head of the Department of Intelligent Control and Decision Support Systems at Gdansk University of Technology (GUT). He is also a Member of the Board of the Digital Technologies Center of GUT. He received his M.Sc. degree in Control Engineering in 2000 from the Electrical and Control Engineering Faculty at the GUT. In 2004 he received a Ph.D. degree in Automatic Control and Robotics from this...
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Enormously large (approaching 14 eV!) electron binding energies of [HnFn+1]- (n= 1–5, 7, 9, 12) anions
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