2013 - Publications Repository - Gdańsk University of Technology

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Publications from the year 2013

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Linear-scaling calculation of Hartree-Fock exchange energy with Non-orthogonal Generalised Wannier Functions
- Jacek Dziedzic
- Q. Hill
- Chris-Kriton Skylaris
2013 Full text JOURNAL OF CHEMICAL PHYSICS
We present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been imple- mented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ in terms of a systematically improvable basis set which is equivalent to plane waves, it is possible to achieve large basis set accuracy in routine cal- culations. The spatial localisation of the NGWFs allows us to exploit the exponential decay of the density matrix in systems with a band gap in order to compute the exchange energy with a compu- tational effort that increases linearly with the number of atoms. We describe the implementation of this approach in the ONETEP program for linear-scaling first principles quantum mechanical calcula- tions. We present extensive numerical validation of all the steps in our method. Furthermore, we find excellent agreement in energies and structures for a wide variety of molecules when comparing with other codes. We use our method to perform calculations with the B3LYP exchange-correlation func- tional for models of myoglobin systems bound with O2 and CO ligands and confirm that the same qualitative behaviour is obtained as when the same myoglobin models are studied with the DFT+U approach which is also available in ONETEP. Finally, we confirm the linear-scaling capability of our method by performing calculations on polyethylene and polyacetylene chains of increasing length.
LINEARYZACJA CHARAKTERYSTYKI TRANSMISYJNEJ UCHA Z ZASTOSOWANIEM NISKICH POZIOMÓW SZUMU ULTRADŹWIĘKOWEGO U PACJENTÓW CIERPIĄCYCH NA SZUMY USZNE
- Tomasz Poremski
2013
W pracy przedstawiono pokrótce problematykę szumów usznych, przegląd hipotez ich powstawania oraz stosowane metody terapii. Dodatkowo przywołano jedną z teorii powstawania szumów usznych opartą na mechanizmie działania układów kwantyzacji. W dalszej kolejności zawarto opis przeprowadzonych badań przeprowadzonych z pacjentami cierpiącymi na szumy uszne, w których wykorzystano mechanizm linearyzacji z użyciem szumu ultradźwiękowego o niskim poziomie. Z przeprowadzonych badań wynika, że stosowanie szumu ultradźwiękowego może być w przypadku niektórych pacjentów skuteczną metodą zmniejszania odczuwania szumów usznych. W pracy przedstawiono dyskusję uzyskanych wyników oraz wnioski.
Liniowe i nieliniowe modele wielowymiarowej kalibracji do predykcji stężenia substancji z pomiarów woltamperometrycznych
- Paweł Kalinowski
- Karolina Sturgulewska
- Łukasz Woźniak
- Grzegorz Jasiński
- Piotr Jasiński
2013
Pomiary woltamperometryczne znajdują zastosowanie w wielu dziedzinach nauki i techniki, np. w przemyśle farmaceutycznym. Dane uzyskane w wyniku takich pomiarów zawierają informację odnośnie rodzaju i stężenia badanej substancji, jednakże są one często kłopotliwe w bezpośredniej interpretacji. Z tego powodu, istnieje konieczność wykorzystania odpowiednich metod matematycznych, które umożliwiają uzyskanie bezpośredniej i precyzyjnej informacji o mierzonej substancji. W tym celu mogą być wykorzystane metody zaliczane do grupy metod wielowymiarowej kalibracji umożliwiające predykcję rodzaju i koncentracji mierzonego związku na podstawie jego charakterystyki prądowo-napięciowej. W niniejszej pracy przedstawione zostaną metody liniowe – regresja PLS (ang. Partial Least Squares) oraz nieliniowe – SVR (ang. Support Vector Regression) wykorzystywane do konstrukcji modeli kalibracyjnych. Sposób konstrukcji modeli kalibracyjnych zaprezentowany zostanie na przykładzie zbioru danych woltamperometrycznych roztworów kwasu askorbinowego (witaminy C) i paracetamolu.
Literatura mostowa z oficyny Ernst & Sohn w Berlinie
- Zbigniew Cywiński
2013 Mosty
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Local variance factors in deformation analysis of non-homogenous monitoring networks
- Waldemar Kamiński
- Krzysztof Nowel
2013 SURVEY REVIEW
This paper proposes a modification of the classical deformation analysis algorithm for non-homogeneous (e.g. linear-angular) monitoring networks. The basis for the proposed solution is the idea of local variance factors. The theoretical discussion was complemented with an example of its application on a simulated horizontal monitoring network. The obtained results confirm the usefulness of the proposed solution.
Localized impedance measurements of AA2024 and AA2024-T3 performed by means of AFM in contact mode
- Anna Arutunow
- Artur Zieliński
- Mateusz Tobiszewski
2013 ANTI-CORROSION METHODS AND MATERIALS
Purpose: The purpose of this paper is to present the results of an atomic force microscopy (AFM) based approach to local impedance spectroscopy (LIS) measurement performed on AA2024 and AA2024-T3 aluminium alloys. Design/methodology/approach: AFM-LIS measurements were performed ex-situ without the electrolyte environment, so in fact the electrical not electrochemical impedance was obtained. Findings: Relative local impedance values recorded for AA2024 alloy during the researches carried out were maximally approximately three orders of magnitude higher than the ones obtained for age-hardened AA2024-T3 alloy. Moreover, in the case of AA2024-T3 alloy, a region located in the interior of α crystals exhibited localized impedance one order of magnitude higher than that measured at its grain boundary when affected by intergranular corrosion. Originality/value: The paper presents differences in localized impedance between grain and grain boundaries activity.
LOKALIZACJA OBIEKTÓW BUDOWLANYCH W SĄSIEDZTWIE LINII 110 kV
- Marek Olesz
2013 Full text Zeszyty Naukowe Wydziału Elektrotechniki i Automatyki Politechniki Gdańskiej
W artykule omówiono wymagania przepisów w zakresie dopuszczalnych wartości pola elektrycznego i magnetycznego niskiej częstotliwości. Przedstawiono wyniki obliczeń rozkładu pola elektrycznego metodą ładunków stymulowanych i w programie FEMM dla przykładowej lokalizacji obiektu przemysłowego w sąsiedztwie linii 110 kV.
Lokalizacja źródeł mocy biernej w systemie elektroenergetycznym z wykorzystaniem metody zbiorów rozmytych
- Robert Kowalak
- Ryszard Zajczyk
- Artur Zbroński
2013 Wiadomości Elektrotechniczne
Istotnym zagadnieniem z punktu widzenia pracy systemu elektroenergetycznego jest właściwe rozmieszczanie nowych źródeł mocy biernej w systemie, tzn. takie, aby ich liczba była możliwie najmniejsza przy ich jak największej efektywności. W referacie przybliżono wybrane stosowane na świecie metody służące określaniu lokalizacji w systemie elektroenergetycznym źródeł mocy biernej w oparciu o logikę zbiorów rozmytych. Zaprezentowano zalety wykorzystania logiki rozmytej do tej problematyki. Przedstawiono przykładowe wyniki badań dotyczących wyszukiwania lokalizacji źródeł mocy biernej w przykładowym systemie, wraz z zaprezentowaniem zastosowanego algorytmu.
Loop-mediated isothermal amplification (LAMP) as a diagnostic tool in detection of infectious diseases
- Dorota Drapała
- Milena Kordalewska
2013
Loop-mediated isothermal amplification (LAMP) is a gene amplification method which amplifies DNA with high specificity and efficiency under isothermal conditions. Because of its rapidity and simplicity, it is a valuable diagnostic tool in the early detection and identification of infectious diseases. LAMP method is based on the use of a set of four to six specially designed primers spanning six to eight distinct sequences on the target DNA. The amplification is performed by DNA polymerase, which has strand-displacing activity. The whole reaction occurs in a single tube and is divided into two steps: non-cyclic and cyclic. The final products are artificial stem loop DNA structures flanking the target sequences.
Losses and energy efficiency of drive motors and systems
- Zygmunt Paszota
2013 Full text Polish Maritime Research
Losses and energy efficiency of every drive motor must be presented as functions of physical quantities independent of losses in the motor. Such quantities are speed and load required by the machine or device driven by the motor, changing in the drive operating field. Speed and load of the motor decide of the instantaneous useful power of the motor and also in a differentiated way of kinds and values of losses occurring in the motor. However, losses and energy efficiency of the hydrostatic drive motors and systems are evaluated by researchers and manufacturers as functions of parameters depending on the losses. The basic cause of such situation is the traditional, commonly accepted but erroneous, view of the power flow in the drive motors and systems represented by the Sankey diagram of power decrease in the direction of power flow. It is necessary to replace the Sankey diagram by the proposed diagram of increase of power in the motor and in the drive system in the direction opposite to the direction of power flow. The proposed view of losses and energy efficiency should be applied to all types of motor and drive systems. The aim of this paper is showing the resulting problems of the above postulates, exemplified by operation of a rotational displacement motor in a hydrostatic drive system. In order to make possible objective evaluation of the energy behaviour of different motor and system solutions and sizes, the losses and energy efficiency should be described and compared as dependent on the motor speed coefficient and load coefficient changing in the drive system operating field . The presented proposals open a new perspective of unavoidable research of drive motors and systems, making it possible to compare objectively the energy efficiency of different types of motors and drive systems.
Losses and energy efficiency of drive motors and systems
- Zygmunt Paszota
2013
Losses and energy efficiency of every drive motor must be presented as functions of physical quantities independent of losses in the motor. Such quantities are speed and load required by the machine or device driven by the motor, changing in the drive operating field. Speed and load of the motor decide of the instantaneous useful power of the motor and also in a differentiated way of kinds and values of losses occurring in the motor. However, losses and energy efficiency of the hydrostatic drive motors and systems are evaluated by researchers and manufacturers as functions of parameters depending on the losses. The basic cause of such situation is the traditional, commonly accepted but erroneous, view of the power flow in the drive motors and systems represented by the Sankey diagram of power decrease in the direction of power flow. It is necessary to replace the Sankey diagram by the proposed diagram of increase of power in the motor and in the drive system in the direction opposite to the direction of power flow. The proposed view of losses and energy efficiency should be applied to all types of motor and drive systems. The aim of this paper is showing the resulting problems of the above postulates, exemplified by operation of a rotational displacement motor in a hydrostatic drive system. In order to make possible objective evaluation of the energy behaviour of different motor and system solutions and sizes, the losses and energy efficiency should be described and compared as dependent on the motor speed coefficient and load coefficient changing in the drive system operating field . The presented proposals open a new perspective of unavoidable research of drive motors and systems, making it possible to compare objectively the energy efficiency of different types of motors and drive systems.
Low and high energy explosive materials used in shale gas recovery
- Jan Góral
- Andrzej Rogala
- Katarzyna Księżniak
- Jan Krzysiek
- Jan Hupka
2013
Nowadays the explosives are widely used in many areas of life, including industry and mining. A wide range of explosive materials is used in the petroleum industry - from low to high explosives. Recently, as the unconventional oil and gas production became possible, explosives are also found to be used in perforators during the pre-completion stage of the fracturing process. This paper presents literature on theoretical and practical aspects of explosives presently used in shale gas recovery.
Low Cost Method for Location Service in the WCDMA System
- Jacek Stefański
2013 NONLINEAR ANALYSIS-REAL WORLD APPLICATIONS
A new and low cost method for a location service (LCS) in the Wideband Code Division Multiple Access (WCDMA) system is outlined. This method, which is called TDOA + RTT, enables calculation of the geographical position of a mobile station (MS) without knowledge of relative time differences (RTDs) between base stations (BSs). The TDOA+RTT method is based on the measurement of round trip times (RTTs) between the MS and the serving BS, and the solution of a nonlinear system of equations with six variables. The elimination of the RTD parameters significantly simplifies the localisation process in 3G (3rd Generation)real-life cellular networks. The paper concentrates on solving the nonlinear system of equations with six variables. In this context, a new algorithm for solving nonlinear equations is proposed.
Low voltage photovoltaic power system
- Katarzyna Karpienko
2013 Elektronika : konstrukcje, technologie, zastosowania
The use of photovoltaics is growing rapidly in the industry as well as households. Therefore, educating the public will help them understand solar cell technology, which is becoming more common in everyday life. This paper proposes a demonstrational set-up of photovoltaic panel for the purpose of science education. It was used in numerous outreach activities such as science fairs. Moreover, it proved to be a great tool for education of photovoltaics among technical students, which helps them understand the principle of operation of solar cells and its practical application.
Low-energy positron scattering from gas-phase pyrimidine: A quantum treatment of the dynamics and a comparison with experiments
- Jan Franz
- F.a. Gianturco
2013 Full text PHYSICAL REVIEW A
We are reporting detailed quantum scattering calculations that describe the diffusion of a beam of low-energy positrons interacting with the pyrimidine target as a gas-phase partner. The calculations have employed an essentially ab initio model for the short-range correlation interaction and for the electrostatic interaction of an impinging positron and the electron+nuclear structure of the target molecule at its equilibrium geometry.
Low-energy positron scattering from gas-phase tetrahydrofuran: A quantum treatment of the dynamics and a comparison with experiments
- Jan Franz
- F.a. Gianturco
2013 Full text JOURNAL OF CHEMICAL PHYSICS
In this paper we report new quantum calculations of the dynamics for low-energy positrons interacting with gaseous molecules of tetrahydrofuran. The new quantum scattering cross sections are differential and integral cross sections at collision energies between 1.0 and 25.0 eV and include a careful treatment of the additional effects on the scattering process brought about by the permanent dipole moment of the target molecule. The present results are compared with an extensive range of measured data, both for the angular distributions and for the elastic integral cross sections and agree remarkably well with all findings. The new calculated quantities reported here also show the importance of correcting the experimental integral cross sections for the angular discrimination in the forward direction.
Low-Level Music Feature Vectors Embedded as Watermarks
- Janusz Cichowski
- Piotr Czyżyk
- Bożena Kostek
- Andrzej Czyżewski
2013
In this paper a method consisting in embedding low-level music feature vectors as watermarks into a musical signal is proposed. First, a review of some recent watermarking techniques and the main goals of development of digital watermarking research are provided. Then, a short overview of parameterization employed in the area of Music Information Retrieval is given. A methodology of non-blind watermarking applied to music-content description is presented. The system architecture for the embedding and recovery of the watermarks, along with the algorithms implemented, are described. The robustness of the watermark implemented is tested against audio file processing, such as re-sampling, filtration, time warping, cropping and lossy compression. Procedures for simulating musical signal alteration are explained with a focus on the influence of lossy compression on the degradation of the embedded watermark. The advantages and disadvantages of the proposed approach are discussed. An outline of future applications of the methodology introduced is also included.
Luminescence recognition material as an INHIBIT logic gate in presence of Pb2+ and Cu2+ ions in aqueous solutions
- Maja Orłowska
- Andrzej Kłonkowski
- Julia Jezierska
- Jacek Ryl
2013 SENSORS AND ACTUATORS B-CHEMICAL
A recognition material consisting of silica xerogel with amino-modified surface selectively recognizes Pb2+ and Cu2+ (but only in presence of Pb2+ ions) in aqueous solutions of other metal ions. The analytical action of the material is based on a significant change in luminescence emission spectra of the material after chemisorption of Pb2+ ions. In the presence of Pb2+ in octahedral coordination environment, a new broad and strong emission band appears which is peaking at 443 nm (λexc = 236 nm) ascribed to electronic transition in Pb2+ complex. On the other hand, the presence of Cu2+ cations causes significant depression of the Pb2+ luminescence. The material plays a role of INHIBIT logic gate for both the mentioned cations. Pb2+ can be analyzed quantitatively but Cu2+ only qualitatively in presence of Pb2+. The material can be regenerated after chemisorption and is photochemically stable during UV illumination. Besides the surface of the modified silica support is analyzed by SEM and XPS techniques and coordination sphere of the chemisorbed Cu2+ ions is determined by electron paramagnetic resonance (EPR).
Luminescent collisions of He+ and He++ ions with H2 molecules at energies below 2 keV
- Bogusław Pranszke
- Sławomir Werbowy
- Robert Miotk
- Krzysztof Borowski
- Andrzej Kowalski
2013 The European Physical Journal-Special Topics
Spectroscopic studies of collisions between He+ and He++ ions with H2 gas target have been performed in the 200–600nm wavelength range. Atomic lines of hydrogen Balmer series and several helium lines were identified and their excitation functions between 50 eV and 1keV (2keV for He++) were determined.
LZWP, czyli jak zbudować CAVE
- Jacek Lebiedź
- Adam Mazikowski
2013
Referat prezentuje wyniki prac autorów dotyczących specyfikacji technicznej instalacji typu CAVE tworzonej na Wydziale ETI Politechniki Gdańskiej. Przedstawiona analiza została dokonana na pod-stawie wiedzy autorów, studiów literaturowych, wizytacji wybranych instalacji w kraju i zagranicą oraz konsultacji z firmami będącymi wiodącymi producentami lub integratorami systemów 3D.