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Search results for: SURFACE DIFFUSION
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Surface diffusion and cluster formation of gold on the silicon (111)
PublicationPurpose: Investigation of the gold atoms behaviour on the surface of silicon by molecular dynamics simulation method. The studies were performed for the case of one, two and four atoms, as well as incomplete and complete filling of gold atoms on the silicon surface. Design/methodology/approach: Investigations were performed by the method of molecular dynamics simulation using the Large-scale Atomic/Molecular Massively Parallel...
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Chemical diffusion and surface exchange in selected Ln–Ba–Sr–Co–Fe perovskite-type oxides
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Singlet Exciton Diffusion in Vacuum-Evaporated Films of Amine-Based Materials as Studied by Photocurrent and Photoluminescence Quenching Methods
PublicationThe singlet exciton diffusion lengths are determined by the photoconductivity as well as the luminescence surface quenching technique, in vacuum‐evaporated layers of (4,4′,4″‐tris(N‐(3‐methylphenyl)‐N‐phenylylamino) triphenylamine) (m‐MTDATA), 4,4′,4″‐tris[2‐naphthyl(phenyl)amino] triphenylamine (2TNATA), and N,N′‐diphenyl‐N,N′‐bis(3‐methylphenyl)‐[1,1′‐biphenyl]‐4,4′‐diamine (TPD) which are frequently used for fabrication of electroluminescent...
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NUMERICAL ANALYSIS OF SPECIES DIFFUSION AND METHANOL DECOMPOSITION IN THERMOCATALYTIC REACTOR BASED ON THE INTERMETALLIC PHASE OF Ni3Al FOR LOW REYNOLDS NUMBERS
PublicationNumerical modelling of hydrogen production by means of methanol decomposition in a thermocatalytic reactor using corrugated foil made of the Ni3Al intermetallic phase is shown in the paper. Experimental results of the flow analysis of mixtures containing helium and methanol in a thermocatalytic reactor with microchannels were used for the initial calibration of the CFD calculations (calculations based on the Computational Fluid...
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The Diffusion of Information and Communication Technologies
PublicationThis book provides extensive evidence on information and communication technologies development patterns and dynamics of this process across developed economies over the period 1980 to the present day. It adopts newly developed methodology to identification of the ‘critical mass’ and isolation of technological takeoff intervals, which are intimately related to the process of technology diffusion. The statistically robust analysis...
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Deciphering the Molecular Mechanism of Substrate-Induced Assembly of Gold Nanocube Arrays toward an Accelerated Electrocatalytic Effect Employing Heterogeneous Diffusion Field Confinement
PublicationThe complex electrocatalytic performance of gold nanocubes (AuNCs) is the focus of this work. The faceted shapes of AuNCs and the individual assembly processes at the electrode surfaces define the heterogeneous conditions for the purpose of electrocatalytic processes. Topographic and electron imaging demonstrated slightly rounded AuNC (average of 38 nm) assemblies with sizes of ≤1 μm, where the dominating patterns are (111) and...
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Physiologically structured populations with diffusion
PublicationRozważamy strukturalny model populacyjny z dyfuzją wraz z dołączonymi warunkami brzegowymi Wentzella. Badamy przypadek o stałych współczynnikach. Dowodzimy nieujemności rozwiązań oraz badamy ich asymptotyczne zachowanie poprzez zasadę maksimum. Symulacje numeryczne potwierdzają nasze teoretyczne rozważania.
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Rothe’s method for physiologically structured models with diffusion
PublicationWe consider structured population models with diffusion and dynamic boundary conditions. The respective approximation, called Rothe’s method, produces positive and exponentially bounded solutions. Its solutions converge to the exact solution of the original PDE.
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Lateral diffusion coefficients in membranes measured by resonance energy transfer and a new algorithm for diffusion in two dimentions
PublicationOpisano wyniki pomiarów współczynników dyfuzji w membranach przy wykorzystaniu rezonansowego przekazywania energii wzbudzania. Donorem był kompleks metaloorganiczny renu o czasie życia ok. 3ćs, co pozwalało na pomiary współczynników dyfuzji mniejszych od 10 cm2/s. Zmierzono współczynniki dyfuzji w membranach typu DMPG i DOPC w różnych temperaturach.
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Method of lines for physiologically structured models with diffusion
PublicationWe deal with a size-structured model with diffusion. Partial differential equations are approximated by a large system of ordinary differential equations. Due to a maximum principle for this approximation method its solutions preserve positivity and boundedness. We formulate theorems on stability of the method of lines and provide suitable numerical experiments.
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Structured populations with diffusion and Feller conditions
PublicationWe prove a weak maximum principle for structured population models with dynamic boundary conditions. We establish existence and positivity of solutions of these models and investigate the asymptotic behaviour of solutions. In particular, we analyse so called size profile.
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On the Matano Plane Position in Multicomponent Diffusion Couples
PublicationEven though several methods of diffusion analysis avoid a necessity for the Matano plane determination, the Matano plane locations are of interest in the multicomponent couples and when tracer experiments are performed. The positions of the Matano plane calculated from the concentration profiles should be exactly the same. However, due to experimental errors, the results can differ significantly. In the paper we consider Matano...
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On the Matano Plane Position in Multicomponent Diffusion Couples
PublicationEven though several methods of diffusion analysis avoid a necessity for the Matano plane determination, the Matano plane locations are of interest in the multicomponent couples and when tracer experiments are performed. The positions of the Matano plane calculated from the concentration profiles should be exactly the same. However, due to experimental errors, the results can differ significantly. In the paper we consider Matano...
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Networks Externalities as Social Phenomenon in the Process ICT Diffusion.
PublicationThis paper is designed to fill the gap in knowledge that we have identified regarding the process of diffusion of information and communication technologies and emerging network effects that significantly enhance spread of these technologies. We contribute to the present state of the art by examining the process of ICT diffusion in 50 countries, which in 2015 achieved highest ICT penetration rates.
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Network effects—do they matter for digital technologies diffusion?
PublicationPurpose The main research target of this paper is to capture the network effects using the case of mobile cellular telephony, identified in European telecommunication markets, and its determinants enhancing the process of digital technologies diffusion. Design/methodology/approach This research relies on panel and dynamic panel regression analysis. The empirical sample covers 30 European countries, and the period for the analysis...
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The importance of the shape of the protein–water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationA single kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in the solvation shell change along with the nature of the neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water are not very different from bulk water. The local...
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The importance of the shape of the protein-water interface of a kinesin motor domain for dynamics of the surface atoms of the protein
PublicationSingle kinesin motor domain immersed in water has been investigated using molecular dynamics. It has been found that local properties of water in solvation shell change along with the nature of neighboring protein surface. However, a detailed analysis leads to the conclusion that the geometrical features of hydrogen bonds and overall structure of kinesin hydration water is not very different from bulk water. The local values of...
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Financial markets diffusion patterns. The case of Mexican investment funds
PublicationExchange traded funds (ETFs) are one of the most influential financial innovations, reshaping the investment funds market in many countries, including Mexico. Due to their similar investment objectives, ETFs are considered substitutes for mutual funds. The aim of the article is to provide an in-depth insight into the issues associated with the development of financial markets in Mexico...
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Balance error generated by numerical diffusion in the solution of Muskingum equation
PublicationIn the paper the conservative properties of the lumped hydrological models with variable parameters are discussed. It is shown that in the case of the non-linear Muskingum equation the mass balance is not satisfied. The study indicates that the mass balance errors are caused by the improper form of equation and by the numerical diffusion which is generated in the solution. It has been shown that the classical way of derivation...
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Wave propagation in a sensor/actuator diffusion bond model
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Simplified diffusion analysis – cartography as a tool for combating pandemics
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Diffusion process modeling by using fractional-order models
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Diffusion length of singlet excitons in copper phthalocyanine films
PublicationPraca przedstawia metodę określania długości drogi dyfuzji ekscytonów w oparciu o widmo fotoprądu. W pracy podana jest szacunkowa wartość drogi dyfuzji ekscytonów singletowych w próżniowo naparowanej warstwie ftalocyjaniny miedzi.
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Diffusion equations with spatially dependent coefficients and fractal Cauer-type networks
PublicationIn this article, we formulate and solve the representation problem for diffusion equations: giving a discretization of the Laplace transform of a diffusion equation under a space discretization over a space scale determined by an increment h > 0, can we construct a continuous in h family of Cauer ladder networks whose constitutive equations match for all h > 0 the discretization. It is proved that for a finite differences discretization...
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Global Digital Technology Convergence: Driving Diffusion via Network Effects
PublicationSince the 1970s, we have witnessed unprecedented diffusion of digital technologies in both speed and geographic coverage. These technologies are pervasive and disruptive, and lead to profound shifts and transformations in societies and economies. Many claim that emerging network externalities are the principal phenomenon driving the process of technology diffusion and determining its in-time dynamics. This book analyses the unique...
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Asymptotic Expansion Method with Respect to Small Parameter for Ternary Diffusion Models
PublicationTernary diffusion models lead to strongly coupled systems of PDEs. We choose the smallest diffusion coefficient as a small parameter in a power series expansion whose components fulfill relatively simple equations. Although this series is divergent, one can use its finite sums to derive feasible numerical approximations, e.g. finite difference methods (FDMs).
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Three electrode configuration measurements of electrolyte-diffusion barrier-cathode interface
PublicationMeasurements of a system consisting of cathode/doped ceria diffusion barrier/doped zirconia electrolyte were made using two- and three-electrode configuration. Results obtained on a three-electrode measurement configuration were compared with and reflect the results obtained in two-electrode configuration. Three-electrode measurements allowed separating the impact of the symmetrical interface in the investigated system. They also...
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The quantum free energy barrier for hydrogen vacancy diffusion in Na3AlH6
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Anomalous diffusion modeling using ultracapacitors in domino ladder circuit
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Cation diffusion coefficients in CuAgI via molecular dynamics simulations
PublicationPraca prezentuje wyniki analizy strukturalnej otrzymane poprzez symulacje dynamiczno-molekularne (zespół NpT, dwuciałowy potencjał Vashisty-Rahmana) superjonowego związku o składzie (1-x)Cu-xAg-I, x = 0.0, 0.25, 0.5, 0.75, 1.0). Wyznaczono wartość współczynnika dyfuzji kationów i energii aktywacji w funkcji składu szkła i temperatury. Otrzymane rezultaty porównano z danymi literaturowymi.
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Electron scattering on N2O - from cross section to diffusion coefficients.
PublicationW pracy przedstawiono wyniki pomiarów współczynników transportu: stosunek współczynnika dyfuzji w kierunku prostopadłym do pola elektrycznego do ruchliwości, stosunek współczynnika dyfuzji podłużnej do ruchliwości oraz prędkość dryfu elektronów w funkcji zredukowanego pola elektrycznego. Współczynniki zmierzono metodą Townsenda-Huxley´a a prędkość dryfu otrzymano wykorzystując metodę Bradbury - Nielsena. Zmierzone współczynniki...
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Unconditionally blue: Curing epoxy with polyethylene glycol (PEG) surface-functionalized Zn Fe3-O4 magnetic nanoparticles
PublicationNanoparticles govern early (chemical-controlled) and late (diffusion-controlled) stages of epoxy crosslinking, respectively. Surface functionalization of nanoparticles with macromolecules was recognized as an effective route to compensate for inadequate diffusion-controlled crosslinking. However, the effect of bulk composition amended with cations having catalytic effect towards epoxy ring opening has remained hitherto undescribed....
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Structure of the interlayer between Au thin film and Si-substrate: Molecular Dynamics simulations
PublicationInteraction between 2, 3, 5 and 7 atomic layers of gold and a (111) silicon surface was investigated with the molecular dynamics simulation method. The simulation of the diffusion interaction between gold and silicon in the temperature range 425-925 K has been carried out. The peculiarities of the concentration changes of the interacting components and the atomic density at the boundary...
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ICT Diffusion Trajectories and Economic Development: Empirical Evidence for 46 Developing Countries
PublicationIn economic theory, technology is treated as a crucial factor contributing significantly to economic development. Seminal works of Schumpeter (Theory of economic development. Transaction Publishers, New Brunswick, 1934, J Econ Hist 7:149–159, 1947), Baumol (Am Econ Rev 76:1072–1084, 1986), Gerschenkron (Economic backwardness in economic perspective. Belknap Press, Cambridge, MA, 1962) or Abramovitz (J Econ Hist 46(2):385–406, 1986)...
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Molecular Diffusion Simulation on ARUZ – Massively-parallel FPGA-based Machine
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ICT Diffusion in Developing Countries. Towards the new concept of technological takeoff
PublicationMonografia dotyczy procesów dyfuzji ICT w krajach zacofanych gospodarczo w latach 2000-2012.
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Impedance studies of diffusion phenomena and ionicand electronic conductivity of cerium oxide
PublicationW pracy zbadano właściwości elektryczne tlenku ceru z wykorzystaniem spektroskopii impedancyjnej. Badania wykazały występowania zjawiska dyfuzji, które jest prawdopodobnie związane z blokowaiem jonów na granicy faz. Bazując na zaproponowanym modelu obliczono przewodność elektronowa i jonową tlenku ceru.
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The Influence of Laser Alloying of Ti13Nb13Zr on Surface Topography and Properties
PublicationThe laser alloying is a continually developing surface treatment because of its significant and specific structuration of a surface. In particular, it is applied for Ti alloys, being now the most essential biomaterials` group for load-bearing implants. The present research was performed on the Ti13Nb13Zr alloy subject to laser modification in order to determine the treatment effects on surface topography and its some mechanical...
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Application of Diffusion Models in the Analysis of Financial Markets: Evidence on Exchange Traded Funds in Europe
PublicationExchange traded funds (ETFs) are financial innovations that may be considered as a part of the index financial instruments category, together with stock index derivatives. The aim of this paper is to explore the trajectories and formulates predictions regarding the spread of ETFs on the financial markets in six European countries. It demonstrates ETFs’ development trajectories with regard to stock index futures and options that...
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ADAPTIVE METHOD FOR THE SOLUTION OF 1D AND 2D ADVECTION-DIFFUSION EQUATIONS USED IN ENVIRONMENTAL ENGINEERING
PublicationThe paper concerns the numerical solution of one-dimensional (1D) and two-dimensional (2D) advection-diffusion equations. For the numerical solution of the 1D advection-diffusion equation a method, originally proposed for solution of the 1D pure advection equation, has been developed. A modified equation analysis carried out for the proposed method allowed increasing of the resulting solution accuracy and consequently, to reduce...
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Nanosize effect of clay mineral nanoparticles on the drug diffusion processes in polyurethane nanocomposite hydrogels
PublicationStudies of swelling and release of naproxen sodium (NAP) solution by polyurethane nanocomposite hydrogels containing Cloisite® 30B (organically modified montmorillonite (OMMT)) have been performed. Polyurethane nanocomposite hydrogels are hybrid, nontoxic biomaterials with unique swelling and release properties in comparison with unmodified hydrogels. These features enable to use nanocomposite hydrogels as a modern wound dressing....
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On the inappropriate fit of diffusion functions at thermal decomposition of some azomonoethers in liquid state
PublicationW celu analizy rozkładu termicznego tytułowych barwników azowych zastosowano mechanizmy D1, D2, D3 i D4. W wyniku przeprowadzonych badań stwierdzono, że rozkład zachodzi w fazie ciekłej, zaś w celu wyznaczenia parametrów aktywacji oraz wyznaczenia funkcji przemiany zastosowano koncepcje homo- i heterogeniczne.
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Mechanical, Structural and Diffusion Studies of Hydrogel Polyurethane Nanocomposites Containing Modified Montmorillonite
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Two-Dimensional Spatial−Spectral ESR Imaging of Diffusion Based on Molybdenum(V)
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Mechanical, structural and diffusion studies of hydrogel polyurethane nanocomposites containing modified montmorillonite
PublicationW pracy zaprezentowano wyniki badań hydrożeli poliuretanowych zawierających poli(tlenek etylenu) oraz montmorylonit. Otrzymane układy scharakteryzowano z użyciem technik XRD, DMA, badań mechanicznych oraz wyznaczono chłonność wody i parametry dyfuzji.
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Influence of diffusion on nonradiative energy transfer between FMN molecules in aqueous solution
PublicationZmierzono zależności wydajności kwantowej roztworów wodnych FMN w zakresie koncentracji od 6,31x10^-5 do 1,8x10^-2 M w temperaturach 298,2 i 323,9 K. Otrzymane wyniki porównano z analogicznymi, uzyskanymi teoretycznie na podstawie modelu nie biorącego i biorącego pod uwagę dyfuzję molekuł fluoroforu. Porównanie wykazuje, że dla badanych roztworów dyfuzja nie może być pominięta, oraz, że dla uzyskania zgodności otrzymanych wyników...
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Facilitated diffusion of glucosamine-6-phosphate synthase inhibitors enhances their antifungal activity
PublicationKwas N-3(4-metoksyfumaroilo)-L-2,3-diaminopropanowy (FMDP) i 2-amino-2-deo-ksy-D-glucitolo-6-fosforan (ADGP) są silnymi inhibitorami syntazy glukoza-mino-6-fosforanu, istotnego enzymu grzybowego, jednak ich aktywność przeciwgrzybowa jest słaba, ze względu na powolną penetrację tych związków przez błonę cytoplazmatyczną. W tej pracy badaliśmy możliwość poprawy działania przeciwgrzybowego ADGP i FMDP poprzez zwiększenie ich własności...
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Balance errors generated by numerical diffusion in the solution of non-linear open channel flow equations
PublicationThe paper concerns the untypical aspect of application of the dissipative numerical methods to solve nonlinear hyperbolic partial differential equations used in open channel hydraulics. It is shown that in some cases the numerical diffusion generated by the applied method of solution produces not only inaccurate solution but as well as a balance error. This error may occur even for an equation written in the conservative form not...
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New Technologies Adoption and Diffusion Patterns in Developing Countries. An Empirical Study for the Period 2000-2011
PublicationIn recent years, enormous changes are noted worldwide when broad adoption of Information and Communication Technologies (ICT). These unique technologies – often perceived as economic development incentives – have a great ability to spread at high pace and low cost in world countries, bringing to people opportunities to contribute to economic development and growth. New Technologies play a special role in developing countries, where...
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MEMORY EFFECT ANALYSIS USING PIECEWISE CUBIC B-SPLINE OF TIME FRACTIONAL DIFFUSION EQUATION
PublicationThe purpose of this work is to study the memory effect analysis of Caputo–Fabrizio time fractional diffusion equation by means of cubic B-spline functions. The Caputo–Fabrizio interpretation of fractional derivative involves a non-singular kernel that permits to describe some class of material heterogeneities and the effect of memory more effectively. The proposed numerical technique relies on finite difference approach and cubic...