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Search results for: symmetric extendibility
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Highly linear CMOS triode transconductor for VHF applications
PublicationA high-speed, fully balanced complementary-symmetry metal-oxide-semiconductor (CMOS) triode transconductor is presented. The proposed approach exploits a pseudo-differential-pair triode configuration with a simple adaptive circuit stabilising the drain-to-source voltages of metal-oxide-semiconductor (MOS) transistors. Since no additional active circuits (apart from the resistors made of the cut-off MOS devices) and no feedback...
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A non-adiabatic wavepacket dynamical study of the low energy chargetransfer process in the S3+ + H collision
PublicationThe collisional system S3+ + H?S2+ + H+ has been studied using a time-dependent wavepacket methodologyin two-dimensions. Using available potential energy surfaces and coupling matrix elementsobtained from multireference ab initio calculations, five non-adiabatically coupled electronic states of1P symmetry have been included in the dynamical simulations. The collision has been studied in thelow energy regime of 1-10 eV. The wavepacket...
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Study of Phase and Chemical Composition of Bi1-xNdxFeO3 Powders Derived by Pressureless Sintering
PublicationIn the present paper studies on Bi1xNdxFeO3 for x =0.1-0.4 are reported. The mixed oxide method followed with pressureless sintering was employed for ceramics fabrication. Thermal behavior of stoichiometric mixtures of simple oxide powders, viz. Bi2O3, Nd2O3 and Fe2O3 was studied by simultaneous thermal analysis. It was found that with an increase in neodymium content the weight loss increased from 0.75% to 3.16% for x =0.1 and...
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Computationally Effcient Solution of a 2D Diffusive Wave Equation Used for Flood Inundation Problems
PublicationThis paper presents a study dealing with increasing the computational efficiency in modeling floodplain inundation using a two-dimensional diffusive wave equation. To this end, the domain decomposition technique was used. The resulting one-dimensional diffusion equations were approximated in space with the modified finite element scheme, whereas time integration was carried out using the implicit two-level scheme. The proposed...
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Effect of Bi2O3 Excess on Morphology and Structure of BiNbO4 Ceramics
PublicationGoal of the present research was to fabricate BiNbO4 ceramics from the mixture of powders by the solid state reaction route and pressureless sintering at various temperatures (TS =8700C and TS =9100C) and study microstructure, phase composition and crystalline structure of BiNbO4 ceramics. Four batches were fabricated and examined, namely the one fabricated from the stoichiometric mixture of reagent – grade oxide powders, viz....
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Superconductivity–Electron Count Relationship in Heusler Phases─the Case of LiPd2Si
PublicationWe report superconductivity in the full Heusler compound LiPd2Si (space group Fm3̅m, No. 225) at a critical temperature of Tc = 1.3 K and a normalized heat capacity jump at Tc, ΔC/γTc = 1.1. The low-temperature isothermal magnetization curves imply type-I superconductivity, as previously observed in LiPd2Ge. We show, based on density functional theory calculations and using the molecular orbital theory approach, that while LiPd2Si...
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Antibiotic resistance in wastewater, does the context matter? Poland and Portugal as a case study
PublicationAntibiotic resistance has been considered a major human health threat that may endanger the success of medicine. Recent studies have unveiled worldwide asymmetries of antibiotic resistance occurrence, being factors as diverse as climate, socioeconomic, or antibiotic use possible drivers of such asymmetric distribution. In Europe, where clinical antibiotic resistance is surveyed for more than 20 years, the European Center for Disease...
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Tuning of photocatalytic activity by creating a tridentate coordination sphere for palladium
PublicationThe synthesis and characterisation of an asymmetric potential bridging ligand bmptpphz (bmptpphz = 2,17-bis(4-methoxyphenyl)tetrapyrido[3,2-a:2’,3’-c:3’’,2’’-h:2’’’,3’’’-j] phenazine) is presented. This ligand contains a 1,10-phenanthroline (phen) and a 2,9-disubstituted phen sphere and possesses a strong absorbance in the visible. Facile coordination of the phen sphere to a Ru(tbbpy)2 core leads to Ru(bmptpphz) ([(tbbpy)2Ru(bmptpphz)](PF6)2;...
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Crystal structures of aminotransferases Aro8 and Aro9 from Candida albicans and structural insights into their properties
PublicationAminotransferases catalyze reversibly the transamination reaction by a ping-pong bi-bi mechanism with pyridoxal 5′-phosphate (PLP) as a cofactor. Various aminotransferases acting on a range of substrates have been reported. Aromatic transaminases are able to catalyze the transamination reaction with both aromatic and acidic substrates. Two aminotransferases from C. albicans, Aro8p and Aro9p, have been identified recently, exhibiting...
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Water uptake kinetics and electrical transport in BaCe0.6Zr0.2Y0.1M0.1O3−δ (M = Tb, Pr, Fe) protonic conductors
PublicationBaCe0.6Zr0.2Y0.1M0.1O3−d (M = Fe, Pr, Tb) is a mixed conducting oxide in which three mobile charge carriers – oxygen ion, electron/hole, and protonic defects – are present. These types of materials have gained much interest as electrode materials for protonic ceramic fuel cells (PCFCs) and protonic ceramic electrolysis cells (PCECs). In this study, the water uptake and oxygen transport properties of different BaCe0.6Zr0.2Y0.1M0.1O3−d...
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Resource constrained neural network training
PublicationModern applications of neural-network-based AI solutions tend to move from datacenter backends to low-power edge devices. Environmental, computational, and power constraints are inevitable consequences of such a shift. Limiting the bit count of neural network parameters proved to be a valid technique for speeding up and increasing efficiency of the inference process. Hence, it is understandable that a similar approach is gaining...
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Centrally Pivoted Tilting Pad Thrust Bearing with Carbon-Based Coated Collar—Experimental Results of Low- and Medium-Speed Operation
PublicationExperimental results of the research on a tilting pad thrust bearing with symmetrical pad support in the conditions of high loads and low speeds are presented in the paper. As described in the literature review, experimental results of tilting pad bearings at low speed/high load regime and transient conditions are rare. Unusual material selection - steel pad against a DLC-type coating on the collar was utilized. Such material combination...
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Deterministic rendezvous of asynchronous bounded-memory agents in polygonal terrains
PublicationTwo mobile agents, modeled as points starting at differentlocations of an unknown terrain, have to meet. The terrain is a polygon with polygonal holes. We consider two versions of this rendezvous problem: exact RV, when the points representing the agents have to coincide at some time, and epsilon-RV, when these points have to get at distance less than epsilon in the terrain. In any terrain, each agent chooses its trajectory, but...
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Experimental test results of an automatic voltage regulator with independent phase voltage controllers
PublicationThe growing number of distributed renewable energy sources and dynamic constant-power loads (e.g. electric vehicle charging stations) pose new challenges for network operators. These changes result in alterations to network load profiles and load flows, leading to greater voltage volatility. One effective solution to these problems can be the use of automatic voltage regulators (AVRs), which stabilize and symmetrize voltage output,...
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Solvent Exchange around Aqueous Zn(II) from Ab Initio Molecular Dynamics Simulations
PublicationHydrated zinc(II) cations, due to their importance in biological systems, are the subject of ongoing research concerning their hydration shell structure and dynamics. Here, ab initio molecular dynamics (AIMD) simulations are used to study solvent exchange events around aqueous Zn2+, for which observation in detail is possible owing to the considerable length of the generated trajectory. While the hexacoordinated Zn(H2O)62+ is the...
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Temperature-dependent structure-property modeling of viscosity for ionic liquids
PublicationIn this paper we present the methodology for assessing the ionic liquids' viscosity at six temperature points (25, 35, 45, 50, 60 and 70 [C]), which utilizes only the in silico approach. The main idea of such assessment is based on the "correction equation" describing the correlation between experimentally measured viscosity and theoretically derived density (calculated with use of molecular mechanics), given at 6 different temperature...
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Accuracy, Memory and Speed Strategies in GPU-based Finite-Element Matrix-Generation
PublicationThis paper presents strategies on how to optimize GPU-based finite-element matrix-generation that occurs in the finite-element method (FEM) using higher order curvilinear elements. The goal of the optimization is to increase the speed of evaluation and assembly of large finite-element matrices on a single GPU (Graphics Processing Unit) while maintaining the accuracy of numerical integration at the desired level. For this reason,...
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A New Microwave Ceramic – Polymer Composite with 0-3 Connectivity
PublicationGoal of the present research was to fabricate and study two-phase BiNbO4//PVDF composites with 0-3 connectivity. Such composite consists of there-dimensionally connected polymer matrix loaded with dielectric ceramic particles. In the present case BiNbO4 powder acted as an active phase (dispersed phase) whereas polyvinylidene fluoride (PVDF) acted as a non-active (passive) phase (matrix). BiNbO4//PVDF composites with the volume...
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An Aqueous Exfoliation of WO3 as a Route for Counterions Fabrication—Improved Photocatalytic and Capacitive Properties of Polyaniline/WO3Composite
PublicationIn this paper, we demonstrate a novel, electrochemical route of polyaniline/tungsten oxide (PANI)/WO3) film preparation. Polyaniline composite film was electrodeposited on the FTO (fluorine-doped tin oxide) substrate from the aqueous electrolyte that contained aniline (monomer) and exfoliated WO3 as a source of counter ions. The chemical nature of WO3 incorporated in the polyaniline matrix was investigated using X-ray photoelectron...
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Molecular mechanism of proton-coupled ligand translocation by the bacterial efflux pump EmrE
PublicationThe current surge in bacterial multi-drug resistance (MDR) is one of the largest challenges to public health, threatening to render ineffective many therapies we rely on for treatment of serious infections. Understanding different factors that contribute to MDR is hence crucial from the global “one health” perspective. In this contribution, we focus on the prototypical broad-selectivity proton-coupled antiporter EmrE, one of the...
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Lateral forces determine dimensional accuracy of the narrow‑kerf sawing of wood
PublicationThe shrinking global forest area limits the supply of industrially usable raw resources. This, in combination with the ever‑increasing consumption of timber due to population growth can lead to the lack of a positive balance between the annual volumetric growth and consumption of wood. An important innovation toward increasing environmental and economic sustainability of timber production is to reduce the volume of wood residues...
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Structural and dynamic changes adopted by EmrE, multidrug transporter protein—Studies by molecular dynamics simulation
PublicationEmrE protein transports positively charged aromatic drugs (xenobiotics) in exchange for two protons and thus provides bacteria resistance to variety of drugs. In order to understand how this protein may recognize ligands, the monomer and asymmetric apo-form of the EmrE dimer embedded in a heterogeneous phospholipid (POPE + POPG) membrane were studied by molecular dynamics simulations. Dimer is regarded as a functional form of the...
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Building damage due to structural pounding during earthquakes
PublicationEarthquake-induced pounding between adjacent buildings has been identified as one of the reasons for substantial damage or even total collapse of colliding structures. A major reason leading to interactions in buildings results from the differences in their dynamic parameters and also from insufficient distance between the structures. Although the research on structural pounding has been much advanced, the studies have mainly been...
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Torsional elasticity and energetics of F1-ATPase
PublicationFoF1-ATPase is a rotary motor protein synthesizing ATP from ADP driven by a cross-membrane proton gradient. The proton flow through the membrane-embedded Fo generates the rotary torque that drives the rotation of the asymmetric shaft of F1. Mechanical energy of the rotating shaft is used by the F1 catalytic subunit to synthesize ATP. It was suggested that elastic power transmission with transient storage of energy in some compliant...
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Synthesis, structure, DNA binding and anticancer activity of mixed ligand ruthenium(II) complex
PublicationIn order to obtain a potential chemotherapeutic which is not affected on the normal BALB/3T3 cell line, a new arene ruthenium(II) complex {[RuCl(L1)(η6-p-cymene)]PF6}2 · H2O has been synthesized by a direct reaction of precursor, [{(η6-p-cymene)Ru(μ-Cl)}2Cl2], with N,N-chelating ligand (L1 - 2,2′-bis(4,5-dimethylimidazole). The compound has been fully characterized by elemental analysis, X-ray diffraction, IR, UV–Vis and 1H, 13C...
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Novel Coplanar-Strip-Based Excitation Technique for Design of Broadband Circularly Polarization Antennas with Wide 3-dB Axial Ratio Beamwidth
PublicationIn this paper, a novel excitation technique for design of a single-point-fed compact low-profile wide-slot antennas with broadband circular polarization (CP) and wide 3 dB axial ratio (AR) beamwidth is presented. Two inverted L-shape parasitic strips placed coplanar to the microstrip line of an asymmetric CPW, and a horizontal strip that protrudes from the vertical edge of the backside ground plane of the substrate are used for...
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Pin Angle Thermal Effects on Friction Stir Welding of AA5058 Aluminum Alloy: CFD Simulation and Experimental Validation
PublicationThe friction stir welding (FSW) of tool pin geometry plays a critical role in the final properties of the produced joint. The tool pin geometry directly affects the generation of heat and the flow of internal materials during the FSW process. The effects of the FSW tool pin angle on heat generation and internal flow have not been quantitatively investigated in detail. In this manuscript, a validated Computational Fluid Dynamic...
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PRESSURE DROP OF HFE7000 AND HFE7100 IN FLOW CONDENSATION IN MINICHANNELS WITH ACCOUNT OF NON-ADIABATIC EFFECTS
PublicationFlow boiling and flow condensation are often regarded as two opposite or symmetrical phenomena involving the change of phase. There is a temptation to describe both these phenomena with one only correlation. From amongst the structures present in flow boiling and flow condensation at least the annular flow structure seems to be mostly appropriate to the common modeling. However, the shear stress acting between vapor phase and liquid...
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About the Noether’s theorem for fractional Lagrangian systems and a generalization of the classical Jost method of proof
PublicationRecently, the fractional Noether's theorem derived by G. Frederico and D.F.M. Torres in [10] was proved to be wrong by R.A.C. Ferreira and A.B. Malinowska in (see [7]) using a counterexample and doubts are stated about the validity of other Noether's type Theorem, in particular ([9],Theorem 32). However, the counterexample does not explain why and where the proof given in [10] does not work. In this paper, we make a detailed analysis...
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Impact of strontium non-stoichiometry of SrxTi0.3Fe0.7O3-δ on structural, electrical, and electrochemical properties for potential oxygen electrode of intermediate temperature solid oxide cells
PublicationThis work presents the results of a comprehensive study on the impact of the A-site non-stoichiometry of SrxTi0.3Fe0.7O3-δ (x = 0.90, 0.95, 1.00, 1.05) ceramics on their physicochemical properties. The materials were fabricated by the conventional solid-state reaction method and their structure was determined by X-ray diffractometry, X-ray photoelectron spectroscopy and electron microscopy. Their sintering and thermal expansion...
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Porównanie działania transformatora symetryzującego (zygzak) z aktywnym energoelektronicznym symetryzatorem prądów fazowych linii niskiego napięcia
PublicationNa potrzeby planowania sieci niskiego napięcia operatorzy systemów dystrybucyjnych (OSD) zakładają symetryczne warunki obciążenia linii. Z roku na rok, rośnie liczba rozproszonych systemów fotowoltaicznych (PV) zainstalowanych w sieciach niskiego napięcia, których większość to małe jednofazowe systemy dachowe. Dodatkowo, do niesymetrii obciążenia przyczyniają się instalowane masowo pompy ciepła i ładowane jednofazowo samochody...
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Do Leonardo da Vinci’s drawings, room acoustics and radio astronomy have anything in common?
PublicationAfter introducing Leonardo da Vinci’s (LdV) predecessors in the field of light propagation research, his drawings on the topic of reflecting light by a spherical mirror are analysed. The discovery of LdV is presented, according to which, at an infinitely distant source of rays, a small fragment of the canopy is enough to generate a focus, while the rest of the mirror forms a caustic for which LdV did not indicate an application....
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Coordination polymers and molecular structures among complexes of mercury(II) halides with selected 1-benzoylthioureas
PublicationSix new 1-benzoyl-3-phenylthiourea and 1-benzoyl-3-(2-methylphenyl)thiourea complexes of mercury( II) were obtained in the reactions of the ligands with HgX2 in methanol (X = Cl, Br, I). Their structures, determined by single-crystal X-ray diffraction analysis, exhibit different stoichiometries and molecular organization. Coordination centers adopt more or less distorted tetrahedral geometry (five structures) or distorted trigonal...
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π-Stacking attraction vs. electrostatic repulsion: competing supramolecular interactions in a tpphz-bridged Ru(ii)/Au(iii) complex
PublicationThe synthesis and characterization of a mixed metal ruthenium(II)/gold(III) complex bridged by tetrapyridophenazine (tpphz) are described. It is isostructural and isoelectronic to the well-known photocatalysts with palladium(II) or platinum(II). Concentration dependent 1H-NMR spectroscopy and XRD studies show that the electrostatic repulsion between the gold(III) moieties exceeds the attractive π-stacking interaction. Theoretical...
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Influence of processing conditions on crystal structure of BiNbO 4 ceramics
PublicationBismuth niobate (BiNbO4) has attracted attention as a low-fired ceramics with promising microwave application potential. It belongs to the bismutocolumbite oxides with similarly to scheelite-like stibiotantalite structure (SbTaO4) A3+B5+O4. Aim of the present research was to fabricate BiNbO4 ceramics by solid state reaction route from the mixture of simple oxides viz. Bi2O3, and Nb2O5, and study its phase composition as well as...
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Nondestructive corrosion degradation assessment based on asymmetry of guided wave propagation field
PublicationThe article presents the results of numerical and experimental investigation of guided wave propagation in steel plates subjected to corrosion degradation. The development of novel procedures allowing for the assessment of the corrosion degradation level is crucial in the effective diagnostics of offshore and ship structures that are especially subjected to aggressive environments. The study’s main aim is to investigate the influence...
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Nieliniowa statyka 6-parametrowych powłok sprężysto plastycznych. Efektywne obliczenia MES
PublicationGłównym zagadnieniem omawianym w monografii jest sformułowanie sprężysto-plastycznego prawa konstytutywnego w nieliniowej 6-parametrowej teorii powłok. Wyróżnikiem tej teorii jest występujący w niej w naturalny sposób tzw. stopień 6 swobody, czyli owinięcie (drilling rotation). Podstawowe założenie pracy to przyjęcie płaskiego stanu naprężenia uogólnionego na ośrodek typu Cosseratów. Takie podejście stanowi oryginalny aspekt opracowania....
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Influence of hydrochloric acid concentration and type of nitrogen source on the electrochemical performance of TiO2/N-MoS2 for energy storage applications
PublicationIn this work, nitrogen-doped molybdenum sulfide was directly deposited on titanium dioxide nanotubes substrate (TiO2/N-MoS2) during hydrothermal synthesis. The study focuses on the influence of hydrochloric acid concentration used for the synthesis, with the results indicating its essential role in thioacetamide hydrolysis and thus in the effectiveness of the N-MoS2 deposition. The electrode material itself is characterized by...
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Flexomagneticity in buckled shear deformable hard-magnetic soft structures
PublicationThis research work performs the first time exploring and addressing the flexomagnetic property in a shear deformable piezomagnetic structure. The strain gradient reveals flexomagneticity in a magnetization phenomenon of structures regardless of their atomic lattice is symmetrical or asymmetrical. It is assumed that a synchronous converse magnetization couples both piezomagnetic and flexomagnetic features into the material structure....
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Proposal of New Tracer Concentration Model in Lung PCT Study Comparison with Commonly Used Gamma-variate Model
PublicationPerfusion computed tomography (pCT) is one of the methods that enable non-invasive imaging of the hemodynamics of organs and tissues. On the basis of pCT measurements, perfusion parameters such as blood flow (BF), blood volume (BV), mean transit time (MTT) and permeability surface (PS) are calculated and then used for quantitative evaluation of the tissue condition. To calculate perfusion parameters it is necessary to approximate...
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The influence of intermolecular correlations on the infrared spectrum of liquid dimethyl sulfoxide
PublicationDimethyl sulfoxide (DMSO) is routinely applied as an excellent, water-miscible solvent and chemical reagent. Some of the most important data concerning its liquid structure were obtained using infrared (IR) spectroscopy. However, the actual extent of intermolecular correlations that connect the isolated monomer spectrum to the IR response of the bulk liquid is poorly studied thus far. Using ab initio molecular dynamics (AIMD) simulations,...
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10-Methyl- and 9,10-dimethyl acridinium methyl sulfate
PublicationThe title compounds, C(14)H(12)N(+).CH(3)O(4)S(-), (I), and C(15)H(14)N(+).CH(3)O(4)S(-), (II), respectively, crystallize with the planar 10-methylacridinium or 9,10-dimethylacridinium cations arranged in layers, parallel to the twofold axis in (I) and perpendicular to the 2(1) axis in (II). Adjacent cations in both compounds are packed in a 'head-to-tail' manner. The methyl sulfate anion only exhibits planar symmetry in (II)....
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A highly-efficient technique for evaluating bond-orientational order parameters
PublicationWe propose a novel, highly-efficient approach for the evaluation of bond-orientational order parameters (BOPs). Our approach exploits the properties of spherical harmonics and Wigner 3jj-symbols to reduce the number of terms in the expressions for BOPs, and employs simultaneous interpolation of normalised associated Legendre polynomials and trigonometric functions to dramatically reduce the total number of arithmetic operations....
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Fabrication of La-Doped Bi4Ti3O12 Ceramics
PublicationLa-modified Bi4Ti3O12 is a typical ferroelectric, piezoelectric and electro-optic material, having relatively low coercive field, low dielectric constant, high Curie temperature and high breakdown strength. Goal of the present research was to apply mixed oxide method for fabrication of BiTLax ceramics, study its chemical composition, crystalline structure and microstructure. The compound BiTLax for x=0, 0.25, 0.5, 0.75 ceramic...
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Implementation of spatial/polarization diversity for improved-performance circularly polarized multiple-input-multiple-output ultra-wideband antenna
PublicationIn this paper, spatial and polarization diversities are simultaneously implemented in an ultra-wideband (UWB) multiple-input-multiple-output (MIMO) antenna to reduce the correlation between the parallel-placed radiators. The keystone of the antenna is systematically modified coplanar ground planes that enable excitation of circular polarization (CP). To realize one sense of circular polarization as well as ultra-wideband operation,...
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Analysis of a micro electro-mechanical platform for laparoscopic surgery
PublicationNiniejsza praca ma na celu określenie możliwości zastosowania odkształcalnych urządzeń o kinematyce równoległej w mikro robotycznych przegubach dla igło-laparoskopii. Operacje chirurgiczne przeprowadzane z użyciem narzędzi laparoskopowych o zmniejszonej średnicy nazywane są igłoskopią (z ang. needlescopy). Narzędzia te pozwalają na przeprowadzanie precyzyjnych operacji na stosunkowo niewielkim obszarze i z zaletami mało inwazyjnych...
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SFEM Analysis of Beams with Scaled Lengths including Spatially Varying and Cross-Correlated Concrete Properties
PublicationThis paper presents the results obtained for plain concrete beams under four-point bending with spatially varying material properties. Beams of increasing length but constant depth were analyzed using the stochastic finite element method. Spatial fluctuation of a uniaxial tensile strength, fracture energy and elastic modulus was defined within cross-correlated random fields. The symmetrical Gauss probability distribution function...
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Design and Optimization of Metamaterial-Based 5G Millimeter Wave Antenna for Gain Enhancement
PublicationIn this brief, a low profile, broadband, high-gain antenna array based on optimized metamaterials (MMs) with dual-beam radiation is reported for 5G millimeters wave (mm-wave) applications. The design is a simple bow tie operating at a 5G band of 28 GHz. It consists of two bow ties with substrate integrated waveguide (SIW)-based power splitter. A broad impedance bandwidth of 26.3−29.8 GHz is obtained by appropriately combining the...
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Determination of pressure drop in flow condensation of HFE7000 in minichannels with account of non-adiabatic effects
PublicationFlow boiling and flow condensation are often regarded as two opposite or symmetrical phenomena involving the change of phase. There is a temptation to describe both these phenomena with one only correlation, however such method has yet to be suggested. From amongst the structures present in flow boiling and flow condensation at least the annular flow structure seems to be mostly appropriate to the common modeling. However, the shear...
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C-1311 (Symadex), a potential anti-cancer drug, intercalates into DNA between A and G moieties. NMR-derived and MD-refined stereostructure of the d(GAGGCCTC) 2 :C-1311 complex
PublicationImidazoacridinone C-1311 (Symadex®) is an antitumor agent which has been recommended for Phase II clinical trials a few years ago. Previously, it was shown experimentally that during the initial stage of its action C-1311 forms stable intercalation complexes with DNA duplexes. Herein, a NMR-derived stereostructure of d(GAGGCCTC)2:C-1311 complex was reported. The ligand was found locating itself between A and G moieties, forming...