Wyniki wyszukiwania dla: LATTICES
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Magnetic properties of charge ordered complex TCNQ salts with lattice distortions
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Effects of Coulomb interaction on the electronic structure and lattice dynamics of the Mott insulatorFe2SiO4spinel
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From flow to jamming: Lattice Gas Automaton simulations in granular materials
PublikacjaWe introduce the first extension of a Lattice Gas Automaton (LGA) model to accurately replicate observed emergent phenomena in granular materials with a special focus on previously unexplored jamming transitions by incorporating gravitational effects, energy dissipation in particle collisions, and wall friction. We successfully reproduce flow rate evolution, density wave formation, and jamming transition observed in experiments....
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Investigations of size effect in tensile fracture of concrete using a lattice model
PublikacjaArtykuł przedstawia symulacje efektu skali w betonie podczas rozciągania przy zastosowaniu nowego modelu siatkowego. Zbadano wpływ rozkładu i wielkości kruszywa oraz wpływ strefy kontaktu na efekt skali.
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Antiferromagnetic ordering and Kondo lattice behavior in moderate heavy fermion system Ce3NiSi3
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Gauge-invariant theory of the Meissner effect in the lattice model of a superconductor with local pairing
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Kinetics of spinodal decomposition in the Ising model with dynamic lattice liquid (DLL) dynamics
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Influence of phonon-phonon coupling on superconducting state in honeycomb-type crystal lattice
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From the Dynamic Lattice Liquid Algorithm to the Dedicated Parallel Computer – mDLL Machine
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Lattice dynamics and elasticity of silver thiogallate (AgGaS2) from ab initio calculations
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Cyclic behaviour modelling of additively manufactured Ti-6Al-4V lattice structures
PublikacjaThe present work is concerned with the numerical modelling of the cyclic behaviour of Ti-6Al-4V lattice structures. In the study, diamond structures of titanium alloy produced by the additive laser powder bed fusion (LPBF) method with different degrees of relative density were used. Realistic geometric models of the studied mesostructures were generated using computed microtomography, taking into account the imperfections of the...
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Superconductivity in Bismuth Pyrochlore Lattice Compounds RbBi2 and CsBi2: The Role of Relativistic Effects
PublikacjaSuperconducting properties of two bismuthide intermetallic compounds, RbBi2 and CsBi2, were studied by means of experimental measurements and ab initio calculations. We show that in both compounds, the superconductivity emerges from the pyrochlore Bi lattice and its formation is heavily influenced by relativistic effects. Based on our analysis of the effect of spin–orbit coupling on the electron–phonon coupling, we suggest a possible...
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Effect of aggregate structure on fracture process in concrete using 2D lattice model
PublikacjaArtykuł przedstawia symulacje rys w betonie przy zastosowaniu nowego modelu siatkowego. Zbadano wpływ rozkładu i wielkości kruszywa oraz wpływ strefy kontaktu na nośność i propagacje rys. Obliczenia były dwuwymiarowe.
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Determination of pesticide residues in food matrices using the QuEChERSmethodology
PublikacjaOznaczanie pozostałości pestycydów w próbkach żywności jest ogromnym wyzwaniem głównie z powodu dużych ilości substancji przeszkadzających, które podlegają ekstrakcji razem z analitami i najczęściej wywierają negatywny wpływ na tok analizy. Z drugiej strony, zapewnienie "bezpieczeństwa żywności" wymaga monitorowania w niej pozostałości pestycydów. W artykule przedstawiono nowe podejście do oznaczania pozostałości pestycydów w próbkach...
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Water clusters in liquid organic matrices of different polarity
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A method for the analysis of methylmercury and total Hg in fungal matrices
PublikacjaThe aim of the study was to develop an efficient method for the determination of monomethyl-mercury (MeHg) and total mercury (THg) content in materials such as fungal sporocarps and sclerotia. Certified Reference Materials (CRMs) with the assigned values of MeHg and THg as well as the control materials (dried mushrooms) with known content of THg were evaluated for method validation. Recovery of MeHg from reference materials was...
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Hardening of (Pb,Cd)Te Crystal Lattice with an Increasing CdTe Content in the Solid Solution
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Electronic and lattice properties of noncentrosymmetric superconductors ThTSi (T=Co, Ir, Ni, and Pt)
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Crystal structure, hydrogen bonds, and lattice dynamics in kanemite from first-principles calculations
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Periodicity Matters: Grating or lattice resonances in the scattering by sparse arrays of subwavelength strips and wires.
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Numerical investigation on dynamic response of a steel lattice tower under various seismic events
PublikacjaThe present paper presents the results of the numerical study designed to investigate the soil-structure flexibility effects on modal parameters (i.e. fundamental frequencies) and time-history analysis response (represented by the top relative displacements) of a 46.8 m high steel lattice tower subjected to a number of ground motions including also one mining tremor. In addition to the fixed-base condition, three different soil...
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Effect of steel fibres on concrete behavior in 2D and 3D simulations using lattice model.
PublikacjaW artykule przedstawiono wyniki numerycznej symulacji betonu zbrojonego włóknami stalowymi. Beton został opisany w skali mezo jako materiał 3-fazowy przy zastosowaniu modelu sieciowego. Obliczenia wykonano dla rozciągania jednoosiowego. Porównano ze sobą wyniki dwu- i trójwymiarowe.
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Simulation of fracture process in concrete elements with steel fibres using discrete lattice model
PublikacjaArtykuł omawia wyniki modelowania procesu zarysowania w elementach betonowych zawierające stalowe włókna przy zastosowaniu dyskretnego modelu kratownicowego. Beton był modelowany na poziomie mezoskali z uwzględnieniem 5 faz: kruszywa, zaczynu cementowego, włókien i obu stref kontaktu. Obliczenia wykonano dla jednoosiowego ściskania, jednoosiowego rozciągania i zginania prostego.
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Determination of POPs in environmental matrices – proficiency tests for Polish laboratories
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Generation of large finite-element matrices on multiple graphics processors
PublikacjaThis paper presents techniques for generating very large finite-element matrices on a multicore workstation equipped with several graphics processing units (GPUs). To overcome the low memory size limitation of the GPUs, and at the same time to accelerate the generation process, we propose to generate the large sparse linear systems arising in finite-element analysis in an iterative manner on several GPUs and to use the graphics...
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Structural studies of bismuth nanocrystals embedded in SiO2 or GeO2 matrices.
PublikacjaW wyniku wygrzewania w atmosferze wodoru szkieł bizmutowych i germanowych otrzymano warstwę nanogranul bizmutu w otoczeniu amorficznej matrycy oraz powierzchniową warstwę bizmutowych granul. Grubość i struktura tak otrzymanych warstw silnie zależy od czasu i temperatury redukcji.
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Modern techniques of extraction of organic analytes from environmental matrices.
PublikacjaW pracy przedstawiono usystematyzowane informacje dotyczące dostępnych jak i nowych technik izolacji i wzbogacania analitów organicznych przed etapem oznaczeń końcowych.
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Absorbing Boundary Conditions Derived Based on Pauli Matrices Algebra
PublikacjaIn this letter, we demonstrate that a set of absorbing boundary conditions (ABCs) for numerical simulations of waves, proposed originally by Engquist and Majda and later generalized by Trefethen and Halpern, can alternatively be derived with the use of Pauli matrices algebra. Hence a novel approach to the derivation of one-way wave equations in electromagnetics is proposed. That is, the classical wave equation can be factorized...
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Determination of POPs in environmental matrices - proficiency tests for Polish laboratories
PublikacjaKatedra Chemii Analitycznej Wydziału Chemicznego PG we współpracy ze Stowarzyszeniem RefMat oraz firmą LGC Promochem Sp. z o.o. prowadzi od 2003 roku wieloletni projekt badań biegłości laboratoriów. Celem badań jest określenie biegłości laboratoriów w zakresie oznaczania związków organicznych (anality z grupy PCB, WWA, pestycydy) w próbkach środowiskowych. W ramach projektu przeprowadzono dotychczas trzy badania biegłości dotyczące...
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Band structure, Born effective charges, and lattice dynamics of CuInS2 from ab initio calculations
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Lattice filter based autoregressive spectrum estimation with joint model order and estimation bandwidth adaptation
PublikacjaThe problem of parametric, autoregressive model based estimation of a time-varying spectral density function of a nonstationary process is considered. It is shown that estimation results can be considerably improved if identification of the autoregressive model is carried out using the two-sided doubly exponentially weighted lattice algorithm which combines results yielded by two one-sided lattice algorithms running forward in...
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Reducing the Number of Microlocations in Oligonucleotide Microchip Matrices by the Application of Degenerate Oligonucleotides
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Victor Eremeev prof. dr hab.
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New insights into the role of lattice oxygen in the catalytic carbonization of polypropylene into high value-added carbon nanomaterials
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Lattice filter based multivariate autoregressive spectral estimation with joint model order and estimation bandwidth adaptation
PublikacjaThe problem of parametric, autoregressive model based estimation of a time-varying spectral density function of a multivariate nonstationary process is considered. It is shown that estimation results can be considerably improved if identification of the autoregressive model is carried out using the two-sided doubly exponentially weighted lattice algorithm which combines results yielded by two one-sided lattice algorithms running...
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Review of the applicability of ionic liquid matrices for the quantification of small molecules by MALDI MS
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Kinetics of photochromic reactions of substituted azobenzenes in solutions, and in liquid crystalline and polymer matrices
PublikacjaBadano kinetykę fotochromowych reakcji pochodnych azobenzenu: eterów koronowych z resztą benzenu i 4-metoksy-4´-halogenoazobenzenów zdolnych do tworzenia fazy ciekłokrystalicznej. Fotoaktywne związki rozpuszczano w alkanach, polimerach i w ciekłokrystalicznej matrycy. Izomeryzacja odpowiada kinetyce pierwszego rzędu w niektórych polimerach, jednakże stwierdzono zróżnicowanie stałych szybkości reakcji. Termiczna izomeryzacja cis-trans...
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Molecular Design Using Selected Concentration Effects in Optically Activated Fluorescent Matrices
PublikacjaMolecular physics plays a pivotal role in various fields, including medicine, pharmaceuticals, and broader industrial applications. This study aims to enhance the methods for producing specific optically active materials with distinct spectroscopic properties at the molecular level, which are crucial for these sectors, while prioritizing human safety in both production and application. Forensic science, a significant socio-economic...
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Highlighting interlanguage phoneme differences based on similarity matrices and convolutional neural network
PublikacjaThe goal of this research is to find a way of highlighting the acoustic differences between consonant phonemes of the Polish and Lithuanian languages. For this purpose, similarity matrices are employed based on speech acoustic parameters combined with a convolutional neural network (CNN). In the first experiment, we compare the effectiveness of the similarity matrices applied to discerning acoustic differences between consonant...
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Correction: New insights into the role of lattice oxygen in the catalytic carbonization of polypropylene into high value-added carbon nanomaterials
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On the effectiveness of Ni alloy-bronze composite lattice structures used in slide bearings operated under heavy loads
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Crystal Growth, Structure, and Magnetism of the 2D Spin 1/2 Triangular Lattice Material Rb3Yb(PO4)2
PublikacjaThe single-crystal growth, crystal structure, heat capacity, and anisotropic magnetization characterization of Rb3Yb- (PO4)2, a Yb-based triangular lattice material, are presented. Single-crystal X-ray diffraction shows that Rb3Yb(PO4)2 exhibits [Yb(PO4)]∞ layers, with the Yb in an ordered plane of equilateral triangles. One phosphate group oxygen that is not a near neighbor of the magnetic Yb displays positional disorder. The...
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ENCAPSULATION OF ROXITHROMYCIN INTO GELLAN GUM MATRICES AND THE IMPACT OF OTHER NATURAL POLYMERS ON DRUG RELEASE
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A new approach for the extraction of tetracyclines from soil matrices: application of the microwave-extraction technique
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New trends in the analysis of the volatile fraction of matrices of vegetable origin: a short overview. A review.
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Catalysis on polymer supports: ESR of molybdenum (V) dispersed in poly(acrylic acid) matrices
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The Current State-of-the-Art in the Determination of Pharmaceutical Residues in Environmental Matrices Using Hyphenated Techniques
PublikacjaSeveral thousand tons of pharmaceuticals and their transformation products (metabolites and degradation products) are introduced into the environment each year. They affect both human health and the environment, therefore, analytical procedures enabling the determination of a wide range of pharmaceuticals at trace levelswithminimal effort, time, and energy are required. Nowadays, hyphenated techniques are commonly applied in pharmaceutical...
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Comprehensive two-dimensional gas chromatography - promising technique for analysis of complex food matrices
PublikacjaThe present paper is focused on brief description of operational principle of comprehensive two-dimensional gas chromatography (GC×GC) technique, instrumentation and data processing. Furthermore, the examples of application in the field of food analysis, performed also in the author's laboratory, are given. The detailed discussion of GC×GC characterization and comparison of the volatile composition of berries of different blue...
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Non-invasive biological fluid matrices analysed to assess exposure to environmental tobacco smoke
PublikacjaPalenie tytoniu stanowi istotne źródło zanieczyszczenia powietrza wewnętrznego. Szkodliwość palenia tytoniu potwierdzają zarówno badania doświadczalne, jak i liczne opracowania epidemiologiczne. Celem przeprowadzonych prac badawczych było oznaczenie zawartości wybranych jonów nieorganicznych (zwłaszcza jonów rodankowych jako biomarkerów narażenia na składniki obecne w środowiskowym dymie tytoniowym) w próbkach płynów biologicznych...
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Nanofiltration-Assisted Concentration Processes of Phenolic Fractions and Carotenoids from Natural Food Matrices
PublikacjaIn new food formulations, carotenoids and phenolic compounds are likely to be the most sought after food ingredients according to their bioactivity, nutraceutical, nutritional value, and compatibility properties once incorporated into food formulations. Such solutes are naturally present in many plant-based sources, and some portions are directly consumed when enriching food products and formulations; however, some portions, which...