Search results for: DISCARDED GRAPHITE
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Practical Approach to Large-Scale Electronic Structure Calculations in Electrolyte Solutions via Continuum-Embedded Linear-Scaling Density Functional Theory
PublicationWe present the implementation of a hybrid continuum-atomistic model for including the effects of a surrounding electrolyte in large-scale density functional theory (DFT) calculations within the Order-N Electronic Total Energy Package (ONETEP) linear-scaling DFT code, which allows the simulation of large complex systems such as electrochemical interfaces. The model represents the electrolyte ions as a scalar field and the solvent...
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International Conference on Computer Graphics, Virtual Reality, Visualisation and Interaction in Africa
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International Conferences in Central Europe on Computer Graphics, Visualization and Computer Vision
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Joint Conference on Computer Vision, Imaging and Computer Graphics Theory and Applications
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Usage of concentrated spectrogram for analysis of acoustical signals
PublicationA novel precise method of signal analysis in the time-frequency domain is presented. A signal energy distribution is estimated by discard and displacement of energy parts of the classical spectrogram. A channelized instantaneous frequency and a local group delay are used in order to energy replacement. Additionally, newly introduced representations such as: a channelized instantaneous bandwidth and a local group duration are used...
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A novel method of time-frequency analysis: an essential spectrogram
PublicationA novel precise method of time-frequency analysis is presented. In the algorithm, a new energy distribution is estimated by simultaneously discard or displacement of the classical spec- trogram energy. A channelized instantaneous frequency and a local group delay are used in order to replacement in the same manner as formulated by Kodera et al. [1, 2]. Additionally, new representations: a channelized instantaneous bandwidth and...
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Active and Dynamic Graphical Code for Object Identification in Healthcare
PublicationA new approach for item marking using two dimensional discrete graphics markers. Proposed solution allow o change the code rapidly, upon request and in the case of thermal markers make the code invisible for unauthorized observers. Connecting the proposed codes with wearable multmedial platform such as eGlasses can create new possibilities in human-environment interaction.
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Annual changes of basic parameters of bottom sediments from the Klodnica River Catchment
PublicationThe Klodnica River Catchment is heavily contaminated ecosystem located in area of the Upper Silesia Industrial Region. In this area various forms of human activity can be observed (e.g. mining coal underground, metallurgy, power/heat plants, wastewater discharged directly into the river). The impact of industrial and municipal wastes on this aquatic system causes to changes in the hydrographic network of river and the waters quality. In...
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An Analysis of Uncertainty and Robustness of Waterjet Machine Positioning Vision System
PublicationThe paper presents a new Automatic Waterjet Positioning Vision System (AWPVS) and investigates components of workpiece positioning accuracy. The main purpose of AWPVS is to precisely identify the position and rotation of a workpiece placed on a waterjet machine table. Two webcams form a basis for the system, and constitute its characteristics. The proposed algorithm comprises various image processing techniques to assure a required...
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The impact of the Tri-City Ring Road on surface water of small endorheic wetlands
PublicationThe paper presents the results of the impact of the Tri-City Ring Road on small endorheic catchment basins. Particular attention was paid to pollution discharged from the road to the surface water, as well as changes in hydrological conditions in the vicinity of the road. In the study, surface water samples were analysed in terms of their electrolytic conductivity, pH and content of major minerals. GIS was also used to study transformation...
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Impedance and cyclic voltammetry studies of GPLA electrodes after laser ablation
Open Research DataThe 3D printed GPLA electrodes present a brand new opportunity for electrode material for electrochemical biosensors. In order for the electrodes to be considered viable for electroanalysis studies, the pretreatment procedure must be applied in order to etch PLA matrix and reveal graphene filler. The following dataset presents an approach towards such...
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Extraction of stable foreground image regions for unattended luggage detection
PublicationA novel approach to detection of stationary objects in the video stream is presented. Stationary objects are these separated from the static background, but remaining motionless for a prolonged time. Extraction of stationary objects from images is useful in automatic detection of unattended luggage. The proposed algorithm is based on detection of image regions containing foreground image pixels having stable values in time and...
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sp2-rich dendrite-like carbon nanowalls as effective electrode for environmental monitoring of explosive nitroaromatic
PublicationNitroaromatic compounds are commonly used explosive materials that pose a risk to human health and ecosystems due to their acute toxicity and carcinogenicity. Nitroaromatics have numerous pathways into the environment via discarded munitions (e.g. into the Baltic Sea after World War II), after use in mining operations, and in industrial run-off from factories producing these compounds (which are produced across the world to date)....
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X-ray diffraction spectra of the NiCo2O4 modified by carbon
Open Research DataThis dataset comprises XRD results for NiCo2O4 modified with carbon, varying according to the amount of carbon. In this context, the XRD data provide insights into the crystalline structure and phase composition of the NiCo2O4 material as it is modified with varying quantities of carbon. This investigation is valuable for understanding how the presence...
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GPU-accelerated finite element method
PublicationIn this paper the results of the acceleration of computations involved in analysing electromagnetic problems by means of the finite element method (FEM), obtained with graphics processors (GPU), are presented. A 4.7-fold acceleration was achieved thanks to the massive parallelization of the most time-consuming steps of FEM, namely finite-element matrix-generation and the solution of a sparse system of linear equations with the...
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Focused ion beam-based microfabrication of boron-doped diamond single-crystal tip cantilevers for electrical and mechanical scanning probe microscopy
PublicationIn this paper, the fabrication process and electromechanical properties of novel atomic force microscopy probes utilising single-crystal boron-doped diamond are presented. The developed probes integrate scanning tips made of chemical vapour deposition-grown, freestanding diamond foil. The fabrication procedure was performed using nanomanipulation techniques combined with scanning electron microscopy and focused ion beam technologies....
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X-ray diffraction (XRD) patterns of nickel(II) oxide (NiO) functionalized borophene and bulk boron
Open Research DataThese data include X-ray diffration (XRD) patterns of nickel(II) oxide (NiO) functionalized borophene before and after oxygen evolution reaction (OER), bulk boron (B), graphiic foil (GF) and nickel(II) oxide nanoparticles (NiO).
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Sources and Fate of PAHs and PCBs in the Marine Environment
PublicationThe assessment of a hazard resulting from the pollution of the environment by chemical compounds is in principle limited to the determination of their concentrations in its various compartments. But for solving many problems in this context, knowledge of the emission sources, transport pathways, and sites of deposition is of great benefit. By far the largest amounts of pollutants, regardless of where they were discharged, end up...
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A Task-Scheduling Approach for Efficient Sparse Symmetric Matrix-Vector Multiplication on a GPU
PublicationIn this paper, a task-scheduling approach to efficiently calculating sparse symmetric matrix-vector products and designed to run on Graphics Processing Units (GPUs) is presented. The main premise is that, for many sparse symmetric matrices occurring in common applications, it is possible to obtain significant reductions in memory usage and improvements in performance when the matrix is prepared in certain ways prior to computation....
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OpenGL accelerated method of the material matrix generation for FDTD simulations
PublicationThis paper presents the accelerated technique of the material matrix generation from CAD models utilized by the finite-difference time-domain (FDTD) simulators. To achieve high performance of these computations, the parallel-processing power of a graphics processing unit was employed with the use of the OpenGL library. The method was integrated with the developed FDTD solver, providing approximately five-fold speedup of the material...
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Optoelectronic system for monitoring of thin diamond layers growth
PublicationDevelopment of the optoelectronic system for monitoring of diamond/DLC (Diamond-Like-Carbon) thin films growth during mu PA ECR CVD (Microwave Plasma Assisted Electron Cyclotron Resonance Chemical Vapour Deposition) process is described. The multi-point Optical Emission Spectroscopy (OES) and Raman spectroscopy were employed as non-invasive optoelectronic tools. Dissociation of H-2 molecules, excitation and ionization of hydrogen...
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Synthesis and application of biomass-derived magnetic biochar catalyst for simultaneous esterification and trans-esterification of waste cooking oil into biodiesel: modeling and optimization
PublicationThis work created, characterized, and used a magnetic biochar catalyst that is both eco-friendly and very effective. Sugarcane bagasse was selected as primary raw material for catalyst preparation, because it is renewable and ecofriendly biomass. Cata- lyst created by doping sugarcane bagasse biochar with magnetic material in the form of (FeSO 4 ·7H 2 O). Thermogravimetric Analysis (TGA) and Fourier Transform Infrared spectroscopy...
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Miłosz Wojaczek mgr
PeoplePochodzę ze Słupska, studiowałem w Koszalinie, Szczecinie, Gdańsku i Warszawie. Pracowałem w różnych miejscowościach - od miasteczek w województwie zachodniopomorskim po Stolicę. Od 2006 roku, z przerwami, mieszkam w Gdańsku. Jestem pracownikiem Centrum Usług Informatycznych Politechniki Gdańskiej - stanowisko: Specjalista Grafik. W 2017 roku otrzymałem Nagrodę Rektora Politechniki Gdańskiej za szczególne osiągnięcia w pracy zawodowej...
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Communication and Load Balancing Optimization for Finite Element Electromagnetic Simulations Using Multi-GPU Workstation
PublicationThis paper considers a method for accelerating finite-element simulations of electromagnetic problems on a workstation using graphics processing units (GPUs). The focus is on finite-element formulations using higher order elements and tetrahedral meshes that lead to sparse matrices too large to be dealt with on a typical workstation using direct methods. We discuss the problem of rapid matrix generation and assembly, as well as...
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Hardware accelerated thin client for virtual reality applications
PublicationThin client applications often make minimal use of hardware available at the client side. This article focuses on the problem of creating portable thin client application for virtual reality applications, which allows use of client graphics hardware to aid rendering process. Some already available potential solutions are presented and entirely new protocol for client-server communication is presented to allow fast and reliable...
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Designing Emergency-Medical-Service Helicopter Interiors Using Virtual Manikins
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Evaluation of the scale-consistent UNRES force field in template-free prediction of protein structures in the CASP13 experiment
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Use of the UNRES force field in template-assisted prediction of protein structures and the refinement of server models: Test with CASP12 targets
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Ensemble fits of restrained peptides’ conformational equilibria to NMR data. Dependence on force fields: AMBER/8 ff03 versus ECEPP/3
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Molecular dynamics-based model of VEGF-A and its heparin interactions
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Modeling protein structures with the coarse-grained UNRES force field in the CASP14 experiment
PublicationThe UNited RESidue (UNRES) force field was tested in the 14th Community Wide Experiment on the Critical Assessment of Techniques for Protein Structure Prediction (CASP14), in which larger oligomeric and multimeric targets were present compared to previous editions. Three prediction modes were tested (i) ab initio (the UNRES group), (ii) contact-assisted (the UNRES- contact group), and (iii) template-assisted (the UNRES-template...
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Long range molecular dynamics study of interactions of the eukaryotic glucosamine-6-phosphate synthase with fructose-6-phosphate and UDP-GlcNAc
PublicationGlucosamine-6-phosphate synthase (EC 2.6.1.16) is responsible for catalysis of the first and practically irreversible step in hexosamine metabolism. The final product of this pathway, uridine 5 diphospho Nacetyl- d-glucosamine (UDP-GlcNAc), is an essential substrate for assembly of bacterial and fungal cell walls. Moreover, the enzyme is involved in phenomenon of hexosamine induced insulin resistance in type II diabetes, which...
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Simplified AutoDock force field for hydrated binding sites
Publicationhas been extracted from the Protein Data Bank and used to test and recalibrate AutoDock force field. Since for some binding sites water molecules are crucial for bridging the receptor-ligand interactions, they have to be included in the analysis. To simplify the process of incorporating water molecules into the binding sites and make it less ambiguous, new simple water model was created. After recalibration of the force field on...
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Visualizing spatially decomposed intermolecular correlations in the infrared spectra of aprotic liquids
PublicationInfrared (IR) spectroscopy is commonly used to study intermolecular interactions in the liquid phase, including solvation phenomena. On the other hand, ab initio molecular dynamics (AIMD) simulations offer the possibility to obtain IR spectra from first principles. Surpassing the experiment, AIMD simulations can deliver additional information on the spatial intermolecular correlations underlying the IR spectrum of the liquid. Although...
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Atmospheric degradation mechanism of anthracene initiated by OH•: A DFT prediction
PublicationDensity functional theory (DFT) calculations at the M06-2X/def2-TZVP level have been employed to investigate the atmospheric oxidation mechanism of anthracene (ANT) initiated by HO•. Direct hydrogen atom abstraction from the ANT using HO• takes place hardly at ambient conditions while the addition of HO• to the C1, C2, and C4 sites are thermodynamically and kinetically more advantageous. The addition reactions are controlled by...
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Mechanical lithography in a polymer substrate using AFM in contact mode
Open Research DataMechanical lithography in a polymer substrate. Contact mode. NTEGRA Prima (NT-MDT) device. NSG 01 probe.
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Application of Survey Simulator for Museums
Publication“Virtual Museum” is currently a very popular form of presenting museums’ collections of artefacts as well as an approach to archaeological research [1], [2], [3]. The term “virtual” can be understood in many ways – from a simple collection of on-line photographs, through multidirectional viewable panorama pictures, to complete interactive models of the real world, including 3-dimensional (3D) geometry, physical properties and many...
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GPU Acceleration of Multilevel Solvers for Analysis of Microwave Components With Finite Element Method
PublicationThe letter discusses a fast implementation of the conjugate gradient iterative method with ${rm E}$-field multilevel preconditioner applied to solving real symmetric and sparse systems obtained with vector finite element method. In order to accelerate computations, a graphics processing unit (GPU) was used and significant speed-up (2.61 fold) was achieved comparing to a central processing unit (CPU) based approach. These results...
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Blended Learning Model for Computer Techniques for Students of Architecture
PublicationAbstract: The article summarizes two-year experience of implementing hybrid formula for teaching Computer Techniques at the Faculty of Architecture at the Gdansk University of Technology. Original educational e-materials, consisting of video clips, text and graphics instructions, as well as links to online resources are embedded in the university e-learning educational platform. The author discusses technical constraints associated...
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The valance state of vanadium-key factor in the flexibility of potassium vanadates structure as cathode materials in Li-ion batteries
PublicationPotassium hexavanadate (K2V6O16·nH2O) nanobelts have been synthesized by the LPE-IonEx method, which is dedicated to synthesis of transition metal oxide bronzes with controlled morphology and structure. The electrochemical performance of K2V6O16·nH2O as a cathode material for lithium-ion batteries has been evaluated. The KVO nanobelts demonstrated a high discharge capacity of 260 mAh g−1, and long-term cyclic stability up to 100...
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A Simplified Method of Trend Removal to Determine Noise Observed During a Supercapacitor’s Discharging
PublicationIn this paper, new method of trend removal is proposed. This is a simplified method based on Empirical Mode Decomposition (EMD). The method was applied for voltage time series observed during supercapacitor discharging process. It assured the determination of an additive noise component after subtracting the identified trend component. We analyzed voltage time series observed between the terminals of the supercapacitor when discharged...
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Electrochemistry from first-principles in the grand canonical ensemble
PublicationProgress in electrochemical technologies, such as automotive batteries, supercapacitors, and fuel cells, depends greatly on developing improved charged interfaces between electrodes and electrolytes. The rational development of such interfaces can benefit from the atomistic understanding of the materials involved by first-principles quantum mechanical simulations with Density Functional Theory (DFT). However, such simulations are...
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Development of novel (BiO)2OHCl/BiOBr enriched with boron doped-carbon nanowalls for photocatalytic cytostatic drug degradation: Assessing photocatalytic process utilization in environmental condition
PublicationIn this work, a series of novel (BiO)2OHCl/BiOBr-x%B:DGNW (x = 0%, 1%, 1.5%, 2%) composites with different content of boron-doped diamond/graphene nanowalls (B:DGNW) were fabricated by simple solvothermal synthesis. A boron-doped diamond/graphene nanowalls (B:DGNW) were prepared by CVD method. A series of analyses: XRD, XPS, SEM, and TEM showed that the photocatalyst (BiO)2OHCl/BiOBr-x%B:DGNW with a “flower-like” morphology was...
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Tuning the Laser-Induced Processing of 3D Porous Graphenic Nanostructures by Boron-Doped Diamond Particles for Flexible Microsupercapacitors
PublicationCarbon (sp3)-on-carbon (sp2) materials have the potential to revolutionize fields such as energy storage and microelectronics. However, the rational engineering and printing of carbon-on-carbon materials on flexible substrates remains a challenge in wearable electronics technology. This study demon-strates the scalable fabrication of flexible laser-induced graphene (LIG)-boron doped diamond nanowall (BDNW) hybrid nanostructures...
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A DFT+U study of carbon nanotubes under influence of a gate voltage
PublicationA possibility of appearance of antiferromagnetic ordering in armchair carbon nanotubes and graphene is studied using density functional theory within a DFT+U approach. It is shown that the Coulomb repulsion between electrons in the -orbitals of graphene would need to reach a threshold value of ,...
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Multi-Option Model of Railway Traffic Organization Including the Energy Recuperation
PublicationThe article presents the issue of organization of railway traffic within the station, taking into account energy recuperation. We identified a number of factors which affect the energy efficiency of recuperation, including the issue of transfer of energy technology between a few vehicles. We presented some aspects of the decision problem of graphic train timetable construction with regard to recuperation. As an indicator of quality...
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Degradation of xylose using a microbial fuel cell
PublicationIt is generally known, that many kind of microorganisms are capable of using carbohydrates as a source of carbon and energy in an environment. The biodegradation process of monosaccharides from pentoses (in this case- racemic mixture of D - and L – xylose) is an immense opportunity for an entire reduction of biological contamination to neutral compounds through MFC. The process is occurred in a single-chamber MFC, which is contained...
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Operational problems of large power diesel engines combusting biofuels, considered togetherwith assessment of their operation
PublicationWithin this article the issue of large power self ignition engines fed with biofuels has been undertaken. The analysis focused mainly on operation problems. There has been noticed some advantages and difficulties associated with the biofuel application to self ignition engines. The research problem has been characterised and the research purposes have been proposed enabling the most profitable formation of energetic features of...
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Analytical chemistry in technical approaches: immobilization of biosorbent waste containing heavy metals in cemented materials
PublicationAn ecologically safe and economically justified method of stabilization of the used biosorbents was developed. Sorbent contaminated with heavy metals has been successfully solidified/stabilized using a hydraulic binder. The test results indicated that up to 1% of the biosorbent residue used could be added without compromising the compressive strength of the mortar. The compressive strength of the modified mortars did not change...
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Feature extraction in detection and recognition of graphical objects
PublicationDetection and recognition of graphic objects in images are of great and growing importance in many areas, such as medical and industrial diagnostics, control systems in automation and robotics, or various types of security systems, including biometric security systems related to the recognition of the face or iris of the eye. In addition, there are all systems that facilitate the personal life of the blind people, visually impaired...