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Search results for: DIRAC-FOCK
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Bound entanglement for continuous variables is a rare phenomenon
PublicationWykazano, że splątanie związane w przypadku zmiennych ciągłych jest rzadkimfenomenem. W szczególności pokazano, że zbiór stanów niedestylowalnych jestnigdzie gęsty w zbiorze wszystkich stanów kwantowych. Poddano dyskusji splą-tanie związane w kontekście liczby Schmidta.
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Nonadditivity of quantum capacity for multiparty communication channels.
PublicationZbadano scenariusze komunikacji pomiędzy wieloma stronami gdzie informacje są przesyłane od wielu nadawców do wielu odbiorców.
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The Processing Procedure for the Interpretation of Microseismic Signal Acquired from a Surface Array During Hydraulic Fracturing in Pomerania Region in Poland
PublicationHydraulic fracturing is a procedure of injecting high pressure fluid into the wellbore in order to break shell rock and facilitate gas flow. It is a very costly procedure and, if not conducted properly, it may lead to environmental pollution. To avoid costs associated with pumping fluid outside the perspective (gas rich) zone and improve one’s knowledge about the reservoir rock, microseismic monitoring can be applied. The method...
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Ab initio and density functional theory calculations of proton affinities for volatile organic compounds
PublicationThe Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets and the density function theory-B3LYP have been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for volatile organic compounds. Calculated values of proton affinities are compared with experimental data.
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Incremental dynamic analysis and fragility assessment of buildings founded on different soil types experiencing structural pounding during earthquakes
PublicationThe effect of the soil type on buildings experiencing pounding during earthquakes is investigated in this study using the incremental dynamic analysis and fragility assessment methods. Three 3-D structures with different number of storeys (4, 6 and 8) were considered in this study. Three pounding scenarios between these three buildings were taken into account, i.e. pounding between 4-storey and 6-storey buildings, between 4-storey...
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Proton affinities of simple organic compounds
PublicationThe Restricted Hatree-Fock method with 6-311G** split-valence molecular orbitals basis sets has been applied to geometrical optimizations and calculations of total electronic, zero point vibrational energies and proton affinities at 298 K for small neutral and protonated alkanes, alcohols, acetic acid, methyl and ethyl acetate, acetone, and acetaldehyde. Calculated values of proton affinities are compared with experimental data.
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Application of the J-matrix method to multichannel scattering
PublicationIn this contribution we describe the multichannel extension to the nonrelativistic J-matrix method, and present differential cross sections for scattering of slow electrons from Argon atoms. Nonrelativistic phase shifts, then the S-matrix and the cross sections have been calculated using newly developed Fortran code, JMATRIX-MULTI.We applied the model Hartree-Fock potential as the scattering potential, which was truncated in the...
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New kagome prototype materials: discovery of KV3Sb5, RbV3Sb5, and CsV3Sb5
PublicationIn this work, we present our discovery and characterization of a new kagome prototype structure, KV3Sb5. We also present the discovery of the isostructural compounds RbV3Sb5 and CsV3Sb5. All materials exhibit a structurally perfect two-dimensional kagome net of vanadium. Density-functional theory calculations indicate that the materials are metallic, with the Fermi level in close proximity to several Dirac points. Powder and single-crystal...
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Report no WOiO/II/67/2015 - Expertise about load capacity of twistlock foundation and sliding foundation
PublicationCustomer delivered to Laboratory 17 elements - twist lock foundations and sliding lock foundations (ship equipment for container lashing). Elements were selected from production series. Each element was loaded for braking load. After test visual inspection had been performed. The expertise contains: description of tested elements, test assumptions, test stand, results and conclusions
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Analysis of pounding between adjacent buildings founded on different soil types
PublicationEarthquake-induced pounding was experienced in many previous earthquakes and it was found to be a critical issue. This study investigates the effect of pounding between buildings founded on the same and different soil types. Three 3-D buildings with 4, 6 and 8 storeys were considered in this study. Three pounding scenarios were taken into account, i.e. pounding between 4-storey and 6-storey buildings, between 4-storey and 8-storey...
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REVERSE MODELLING OF MICROSEISMIC WAVES PROPAGATION FOR THE INTERPRETATION OF THE DATA FROM HYDRAULIC FRACTURING MONITORING IN POLAND
PublicationA hydraulic fracturing job was performed to stimulate gas flow from a horizontal wellbore located in Poland. The whole operation was overseen by means of microseismic monitoring. For this purpose, an array of 12000 geophones was deployed on ground in form of patches distributed unevenly in a region of 4km from the wellbore. The array was constantly recording seismic signals during whole fracturing processed. Such recorded signals...
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Reducible representations of CAR and CCR with possible applications to field quantization.
PublicationRedukowalne reprezentacje CAR i CCR zastosowane są do drugiej kwantyzacji pól Diraca i Maxwella. Powstające w ten sposób operatory pola są rzeczywiście operatorami, a nie dystrybucjami o wartościach operatorowych. Przykłady pokazują, że formalizm taki może prowadzić do skończonej teorii pola.
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Badania stanu technicznego ścianek szczelnych strony południowej i północnej komory południowej śluzy Dzierżno
PublicationPrace dotyczyły badań nieniszczących łączników (zamków) Paine`a oraz ścianek szczelnych. Ściany boczne komory południowej śluzy Dzierżno zbudowane są ze stalowych pasów blachy o grubości około 16mm i długości 22m połączonych ze sobą wzdłuż dłuższej krawędzi za pomocą zamków Peine`a. System ten umożliwia uzyskanie szczelnego połączenia na całej długości ścianki. Zaawansowany proces korozji spowodował rozszczelnienie połączenia...
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A method for the three-dimensional and synchronous resolution of functional and spatial matters in architectural design
PublicationThe article discusses the issue of applied methods of teaching architectural design at Polish universities. The authors review the common methods based on conceptual drawings solving design problems in only two dimensions. After completing the floor plans' sketching process carried out in 2D way the 3D virtual models are made - seldom cardboard mock-ups - to illustrate the final spatial form of the designed object. At the Faculty...
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A two-plasmid Escherichia coli system for expression of Dr adhesins
PublicationPraca opisuje konstrukcję wydajnego systemu produkcji fimbrii Dr. System składa się z dwóch plazmidów. Plazmid pACYCpBAD-DraC-C-His zawiera pod kontrolą promotora arabinozowego gen draC kodujący białko kanałotwórcze DraC. Plazmid pET-30b-sygDraBE zawiera pod kontrolą promotora T7lac geny draB i draE kodujące odpowiednio białko opiekuńcze DraB oraz adhezynę DraE. Oba plzamidy posiadają różne ori replikacji co pozwala na ich jednoczesne...
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Dissociation pathways of protonated water clusters
PublicationRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n=4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
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Molecular aspects of biogenesis of Escherichia coli Dr Fimbriae: characterization of DraB-DraE complexes
PublicationHemaglutynina Dr uropatogennych szczepów Escherichia coli jest fimbrialnym homopolimerem zbudowanym z podjednostek białkowych DraE kodowanych przez operon dra. Operon dra zawiera geny draB i draC, kodujące białka homologiczne do białek (białko opiekuńcze-białko kanałotwórcze) zaangażowanych w procesie biogenezy struktur polimerycznych eksprymowanych powierzchniowo. Białko DraB jest jednym z białek periplazmatycznych, należącym...
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Proton transfer reactions for ionized water clusters
PublicationCalculations of formation energies of the ionized water clusters and energies of reactions between small (including less than eight water molecules) neutral and positively ionized water clusters are presented. Moreover, we discuss some reaction paths between neutral and positively charged dimers, trimers and tetramers and proton transfer reactions (PTR) between cyclic clusters and H3O+ ions which can appear in beam experiments...
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A simple modification to improve the accuracy of methylation-sensitive restriction enzyme quantitative polymerase chain reaction
PublicationDNA digestion with endonucleases sensitive to CpG methylation such as HpaII followed by polymerase chain reaction (PCR) quantitation is commonly used in molecular studies as a simple and inexpensive solution for assessment of region-specific DNA methylation. We observed that the results of such analyses were highly overestimated if mock-digested samples were applied as the reference.We determined DNA methylation levels in several...
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Dissociation energies of protonated water clusters
PublicationRelative abundances of positively ionized water clusters formed in a low-pressure electrical discharge as function of reduced electric field were obtained by using drift cell and quadrupole mass spectrometer. It was noticed that some clusters say with n = 4 were more abundant than others, at comparable drift conditions. Dissociation energies have been derived from equilibrium conditions for relative clusters abundances. The Hartree-Fock...
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Assessment of codes recommendations for the evaluation of the seismic gap of buildings founded on different soil types
PublicationSeveral equations have been proposed in the literature to evaluate the seismic gap preventing earthquake-induced structural pounding, such as the ones based on the absolute sum of the peak displacements (ABS), the square root of the sum of the squares (SRSS), the double difference method (DDC), Australian code and the approach proposed by Naderpour et al. The aim of this paper is to investigate the accuracy of these equations taking...
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An Evaluation Engine for Dynamic Ranking of Cloud Providers
PublicationThe paper focuses on creation of an effective dynamic ranking service for IaaS, PaaS and SaaS cloud providers. It considers building a quality model for this purpose along with definition of quality measure- ment procedures. The paper discusses several techniques known from already existing price comparison engines that could be modified and adopted for comparison of cloud providers. A technique for filtering measured data is proposed,...
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Extended phase diagram of RNiC2 family: Linear scaling of the Peierls temperature
PublicationPhysical properties for the late-lanthanide-based RNiC2 (R = Dy, Ho, Er, and Tm) ternary compounds are reported. All the compounds show antiferromagnetic ground state with the Néel temperature ranging from 3.4 K for HoNiC2 to 8.5 K for ErNiC2. The results of the transport and galvanomagnetic properties confirm a charge density wave state at and above room temperature with transition temperatures TCDW = 284, 335, 366, and 394 K for...
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Effective Equations for the Optimum Seismic Gap Preventing Earthquake-Induced Pounding between Adjacent Buildings Founded on Different Soil Types
PublicationThe best approach to avoid collisions between adjacent structures during earthquakes is to provide sufficient spacing between them. However, the existing formulas for calculating the optimum seismic gap preventing pounding were found to provide inaccurate results upon the consideration of different soil types. The aim of this paper is to propose new equations for the evaluation of the sufficient in-between separation gap for buildings...
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Likwidacja suchego doku przy Nabrzeżu Przemysłowym w Porcie Gdańsk
PublicationW niniejszej pracy przedstawiono problemy techniczne związane z likwidacją dużego obiektu hydrotechnicznego, stanowiącego utrudnienie nawigacyjne w intensywnie eksploatowanym portowym kanale dostępowym w Porcie Gdańsk. Dwukomorowy dok zlokalizowany przy Nabrzeżu Przemysłowym wybudowano w latach 1970-1972. Komory dokowe służyły do budowy żelbetowych, pływających skrzyń falochronowych, na potrzeby budowanego w tym czasie Portu Północnego....
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Magnetic-dipole-to-electric-quadrupole cross-susceptibilities for relativistic hydrogenlike atoms in some low-lying discrete energy eigenstates
PublicationIn this paper we present tabulated data for magnetic-dipole-to-electric-quadrupole cross-susceptibilities (χ_{M1→E2}) for Dirac one-electron atoms with a pointlike, spinless and motionless nucleus of charge Ze. Numerical values of this susceptibility for the hydrogen atom (Z = 1) and for hydrogenic ions with 2 \leqslant Z \leqslant 137 are computed from the general analytical formula, recently derived by us (Stefanska, 2016), valid...
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Analysis of floor-to-column pounding of buildings founded on different soil types
PublicationThe aim of this study is to investigate the effect of the soil type on buildings experiencing floor-to-column pounding during earthquakes. Five buildings with 4-storeys, 6-storeys, and 7-storeys were considered. Three types of the 4-storey building with different total heights were taken into account which leads to floor-to-column pounding at 1/3, 1/2 and 2/3 of the height of the impacted column. Two pounding scenarios were considered,...
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Geochemical fractionation of organic matter in the Jurassic-Cretaceous Vaca Muerta shale, Argentina
PublicationSeveral studies have indicated the presence of more than one generation of bitumen that could be isolated from rocks through sequential extraction or after demineralization or both. Nabbefeld et al. (2010a) and Holman et al. (2012, 2014) termed bitumen obtained after solvent extraction from the undigested rock as “Bitumen I" and that obtained by extraction after demineralization of rock as “Bitumen II.” The occurrence of different...
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Shaking table experimental study on pounding between adjacent structures founded on different soil types
PublicationThe aim of this study is to extensively investigate the effect of the soil type on the response of colliding structures based on shaking table experimental tests. Two single-storey models of steel buildings with different dynamic parameters were considered in this study. Three pounding scenarios were taken into account by applying different seismic gaps (0.5 cm, 1 cm and 1.5 cm as well as the no pounding case). First, the effect...
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The role of traditional architectural models in the first stages of education.
PublicationThe oldest architectural models discovered by scientists date from the Middle Ages, while models or 1:1 scale prototypes were used in ancient times. Architectural miniatures quickly evolved into an indispensable tool for designers that enabled them to creatively express their thoughts and ideas. Mock-ups became a way of helping a designer communicate a concept, and their educational value was also recognised. The method of modelling,...
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Hydrodynamic Model of the New Waterway through the Vistula Spit
PublicationThe decision to build a new waterway (strait) in the Polish part of the Vistula Spit was made in 2017. The new connection between the Gulf of Gdańsk and the Vistula Lagoon is planned as an artificial navigable channel with a lock and a small port. During storm surges and wind tides in the gulf or in the lagoon, sluicing will be re-quired for vessels to tackle the Vistula Spit. This procedure does not require significant water flow...
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Theoretical study of the photoelectron spectrum of ethyl formate: Ab initio and density functional theory investigation
PublicationThe first ionization energy and associated photoelectron spectrum of ethyl formate are investigated with quantum chemistry calculations. The geometries, harmonic vibrational frequencies and first ionization energy are computed at the Hartree-Fock (HF) and at the second order Moller-Plesset perturbation theory (MP2). Moreover, accurate ionization energies are obtained with the Coupled-Cluster theory including singles and doubles...
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Dead time effects compensation strategy by third harmonic injection for a five-phase inverter
PublicationThis paper proposes a method for compensation of dead-time effects for a fivephase inverter. In the proposed method an additional control subsystem was added to the field-oriented control (FOC) scheme in the coordinate system mapped to the third harmonic. The additional control loop operates in the fixed, orthogonal reference frame ( α - β coordinates) without the need for additional Park transformations. The purpose of this method...
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Seismic gap between buildings founded on different soil types experiencing pounding during earthquakes
PublicationSeveral formulas have been suggested in the literature to evaluate the minimum seismic gap that would prevent collisions between adjacent buildings during earthquakes, including those based on the absolute sum of the peak displacements (ABS), square root of the sum of the squares (SRSS), the double difference method (DDC), Australian code, and approach proposed by Naderpour et al. The aim of the present study is to evaluate the...
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Reflectiona upon separability and distillability
PublicationPrzedstawiono abstrakcyjną wersję badań kwantowych korelacji za pomocą zbiorów wypukłych (tzw. program Insbruck-Hannover). Przedstawiono zwarty opis optymalnych rozkładów danego stanu oraz optymalnych obserwabli warunkujących przynależność danego stanu do określonego zbioru wypukłego.
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Shales Leaching Modelling for Prediction of Flowback Fluid Composition
PublicationThe object of the paper is the prediction of flowback fluid composition at a laboratory scale, for which a new approach is described. The authors define leaching as a flowback fluid generation related to the shale processing. In the first step shale rock was characterized using X-ray fluorescence spectroscopy, X-ray diractometry and laboratory analysis. It was proven that shale rock samples taken from the selected sections of horizontal...
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Dynamic ranking of cloud providers
PublicationThe paper focuses on how to create an effective dynamic ranking service for IaaS,PaaS and SaaS cloud providers. It considers building of a quality model for thispurpose along with definition of quality measurement procedures. The paper discussesseveral techniques known from already existing price comparison engines that couldbe modified and adopted for comparison of cloud providers. Furthermore, a tech-nique for filtering measured...
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Charakterystyka hydrogeochemiczna wód podziemnych rejonu Przylądka Rozewie na podstawie badań ich naturalnych wypływów
PublicationW niniejszym artykule zostały przedstawione wyniki badań, które były prowadzone w strefie brzegowej rejonu Przylądka Rozewie. Prowadzone w latach 2013-2014 badania miały charakter monitoringu podstawowych właściwości fizykochemicznych oraz oznaczenia składu jonowego wód wypływających ze zbocza w obrębie badanego terenu. Warunki hydrogeochemiczne rejonu Przylądka Rozewie są kształtowane pod wpływem specyficznego nadmorskiego klimatu,...
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Visualization and quantification of soil laboratory impact compaction
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Plasma-Based Deposition and Processing Techniques for Optical Fiber Sensing
PublicationPlasma-based techniques are widely applied for well-controlled deposition, etching or surface functionalization of a number of materials. It is difficult to imagine fabrication of novel microelectronic and optoelectronic devices without using plasma-enhanced deposition of thin films, their selective etching or functionalization of their surfaces for subsequent selective binding of chemical or biological molecules. Depending on...
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Emotion Recognition from Physiological Channels Using Graph Neural Network
PublicationIn recent years, a number of new research papers have emerged on the application of neural networks in affective computing. One of the newest trends observed is the utilization of graph neural networks (GNNs) to recognize emotions. The study presented in the paper follows this trend. Within the work, GraphSleepNet (a GNN for classifying the stages of sleep) was adjusted for emotion recognition and validated for this purpose. The...
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Multi-state multi-reference Møller-Plesset second-order perturbation theory for molecular calculations
PublicationThis work presents multi‐state multi‐reference Møller–Plesset second‐order perturbation theory as a variant of multi‐reference perturbation theory to treat electron correlation in molecules. An effective Hamiltonian is constructed from the first‐order wave operator to treat several strongly interacting electronic states simultaneously. The wave operator is obtained by solving the generalized Bloch equation within the first‐order...
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Fatty acids as molecular carriers in cleavable antifungal conjugates
PublicationConjugates composed of C2-18 fatty acid (FA) residues as a molecular carrier and 5-fluorocytosine (5-FC) as an active agent, released upon the action of intracellular esterases on the ester bond between FA and “trimethyl lock” intramolecular linker, demonstrate good in vitro activity against human pathogenic yeasts of Candida spp. The minimal inhibitory concentrations (MIC) values for the most active conjugates containing caprylic...
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Two-spinors, oscillator algebras, and qubits: aspects of manifestly covariant approach to relativistic quantum information
PublicationThe first part of the paper reviews applications of 2-spinor methods to relativistic qubits (analogies between tetrads in Minkowski space and 2-qubit states, qubits defined by means of null directions and their role for elimination of the Peres-Scudo-Terno phenomenon, advantages and disadvantages of relativistic polarization operators defined by the Pauli-Lubanski vector, manifestly covariant approach to unitary representations...
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Sterowanie silnikiem indukcyjnym za pomocą falownika prądu.
PublicationCelem niniejszego artykułu jest przedstawienie wyników badań symulacyjnych układu napędowego z silnikiem indukcyjnym i falownikiem prądu, w którym zastosowano dwie metody sterowania w zamkniętej pętli sprzężenia prędkościowego tj., sterowanie z orientacją względem wektora pola (FOC) oraz sterowanie oparte na modelu multiskalarnym (MMB).
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Temperature modeling in activated sludge systems: a case study
PublicationPrzedstawiono model dynamiki temperatury jako część ogólnego modelu komory osadu czynnego. Transport ciepła opisano za pomocą jednowymiarowego równania adwekcyjno-dyspersyjnego z członem źródłowym opisującym teoretyczny bilans ciepła dla komory. Model został zweryfikowany w oczyszczalni ścieków Rock Creek w stanie Oregon (USA) w oparciu o dane eksploatacyjne oraz pomiary meteorologiczne z pobliskiej stacji meteorologicznej. Wyniki...
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The spatial planning of industrial areas in an urbanized area for cargo, in the development of inland waterway transport
PublicationSpatial planning, taking into account the configuration of the surface, i.e. its shape (relief) and the presence and mutual location of objects and points of characteristic water ports, is a derivative of several natural, economic, market, technical, social and political factors. It depends on the destination port, the planned structure of trade in cargo, the forecasted traffic of ships, passageways, the technology of reloading...
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A procedure for elastoplastic hardening function identification.
PublicationThe inverse analysis method for identifying a nonlinear hardening function,which governs a plastic yielding of soil and rock materials in the framework of elastoplastic theory is presented. A concept of two stage finite element based on spatial discretization of computational space and hardening function space is introduced. The proposed inverse analysis can be classified as the output least squares method. The Levenberg Marquard...
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Polymerization of chloro-p-xylylenes, quantum-chemical study
PublicationThe p-xylylene monomers of parylene N, C and D have similar high polymerization reactivity. For effective copolymerization processes this fact is basically a draw- back and for instance the copolymerization with styrene doesn't go at all (Corley et al. J Pol Sc 13(68):137156, 1954). Substitution of terminal hydrogen atoms by chlorine atoms reduces reactivity dramatically. 7,7,8,8-tetrachloro-p- xylylene and 2,5,7,7,8,8-hexachloro-p-xylylene...
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Systemy krążenia wód podziemnych w rejonie Zalewu Kamieńskiego, Pomorze Zachodnie
PublicationSystemy krążenia wód podziemnych w rejonie Zalewu Kamieńskiego zależą od budowy geologicznej, ukształtownia terenu a także ascenzji solanek i ingresji wód morskich.Do obliczenia czasu przepływu wody w rozpatrywanych warunkach w ośrodku o znanej porowatości aktywnej posłuzono sie programem TFS opracowanym przez K. Burzyńskiego.Model przepływu wód podziemnych opracowano dla przekroju hydrogeologicznego wzdłuż linii Miedzywodzie -...