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Toward Mechanosynthesis of diamondoid structures: III. Quantum-chemical study of silylene molecule and silicon atom transfer mechanism from caped SWCNT tip to the reaction center on a hydrogenated Si(111) surface
PublicationOpublikowana wcześniej (Modelling Simul. Mater. Sci. Eng., Vol. 7, 1999, pp. 43-58) strategia mechanosyntezy struktur krzemu na uwodornionej płaszczyźnie Si(111) została poszerzona poprzez uwzględnienie ostrza w postaci zamkniętej SWCNT jako urządzenia kontrolującego położenie cząsteczki sililenu oraz atomu krzemu.
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Toward Mechanosynthesis of Diamondoid Structures: VI. Quantum-Chemical Molecular Dynamics Comparison of Conditions for the STM Tip Driven Mechanosynthesis on Hydrogenated Si(111), Si(110) and Si(100) Surfaces.
Publicationmożliwość prototypowania przejściowych generacji nano-urządzeń otrzymanych drogą pozycjonowanej mechanosyntezy za pomocą stm wyposażonego w ostrze typu swcnt są analizowane metodą kwantowo-chemicznej dynamiki molekularnej. proponowana strategia syntezy polega na insercji atomów si oraz cząsteczek sih2 we wiązania si-h na uwodornionej powierzchni si(111), si(110) oraz si(100) kryształu krzemu. rezultaty modelowania sugerują, że...
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Toward mechanosynthesis of diamondoid structures: V. Silicon as the material of choice for preliminary implementation of intermediate generation of nano-machine systems
PublicationStosując ostatnio wprowadzony przez Drexlera ''moduł skalowany stałą sieciową'' KLM, porównano dwa potencjalne nano-materiały, krzem i diament. Szczegółowe porównanie właściwości fizycznych i chemicznych wykazuje, że krzem może być rozważany jako materiał z wyboru dla pierwotnej implementacji pośredniej generacji nano-systemów.
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Towards mechanosynthesis of diamondoid structures: iv. The strategy for preliminary implementation of elenbogen's ''mater as software'' concept
PublicationOpublikowana wcześniej (Molecular Electronics and Molecular Electronic Devices, Vol. 1, Chap. 2, CRC Press, Inc. 1993, pp. 31-83) strategia budowy molekularnych urządzeń ulektronicznych w oparciu o polisilany jest rozszerzona w kierunku koncepcji Ellenbogena ''mater as software'' poprzez rozważenie użycia zamkniętej jednościennej nanorórki jako ostrza STM w celu umożliwienia manipulacji cząsteczkami sililenu.
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Toward mechanosynthesis of diamondoid structures: vii. simple strategy of building atomically perfect spm tip through attachment of c60 molecule to commercial silicon tip by controlled hydrogen atom desorption from tip asperity si(111) silicon surface
PublicationZaproponowano strategię unieruchomienia cząsteczki c60 na ostrzu chandlowego czujnika spm zbudowanego z krzemu. strategia składa się z czterech prostych etapów i prowadzi do ostrza spm o atomowo zdefiniowanej budowie. modelowanie właściwości ostrza sugeruje, że mogło by ono mieć zastosowanie w mechanosyntezie.
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Toward a universal Embedded-Atom Method: II. A set of transferable denisty and dimmer referenced embedding energy functions for all elements of the periodic table as tool for removing two gauge degrees of freedom in EAM potentials
PublicationZestaw kluczowych właściwości homodwuatomowych cząsteczek o Z ≤ 103 (równowagowa odległość między atomami re, energia dysocjacji DO, Liczba falowa drgań ωe) zostały zestawione na bazie dostępnych danych eksperymantalnych oraz obliczeń za pomocą teorii funkcjonałów gęstości elektronowej B3LYP/SBKJC.
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Toward mechanosynthesis of diamondoid sructures: viii. quantum-chemical molecular dynamics simulations of hexagonal silicon-iv structure synthesis with stm
Publicationw tej publikacji badano metodami kwantowo-chemicznymi różne strategie mechanosyntezy heksagonalnego krzemu iv. określono przybliżone warunki mechanosyntezy krzemu w formie lonsdaleitu za pomocą uhv-spm.
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Empirically adjusted and consistent set of EHT valence orbital parametersfor all elements of the periodic table. Modelling Simul. Mater. Sci. Eng. [online]. 2004 vol. 12 [dostęp..] s. 21-32, 3 rys. 3 tab. bibliogr. 35 poz. Dostępny w Internecie stacks.iop.org/MSMSE/12/21.ISSN 0965-0393 Jednorodny skorygowany empirycznie zbiór parametrów EHT dla orbitali walen- cyjnych pierwiastków.
PublicationModel atomu HFS został zmodyfikowany poprzez przypisanie każdemu z atomówindywidualnego parametru ŕ. Wartości ŕ dobrano w oparciu o pierwszy poten-cjał jonizacji atomu. Parametry EHT wyznaczono w oparciu o tak zmodyfikowa-ny model HFS.
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Towards a universal embedded-atom method: empirically adjusted and consistent set of atomic densities for all elements of the periodic table
PublicationModel atomu HFS został zmodyfikowany poprzez wyznaczenie indywidualnych parametrów αex dla atomów. Parametry αex wyznaczono w oparciu o energię jonizacji atomów. W oparciu o tak zmodyfikowaną metodę HFS wyznaczono rozkłady gęstości elektronów w atomach.
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The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: III. Selection of X@C60 Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Trapped Neutral Atom Quantum Computing Devices
PublicationThe selection of guest atoms X of X@C60 MBBs for TBN of trapped neutral atom quantum computing devices is reported. Assuming the all-optical quantum computing as a final target stage, the two criteria are most important: the charge q accumulated on the C60 host must be as low as possible, and the atom X must have one or more available excited states within the band falling into the low energy window of neutral C60 molecule electronic...
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The Ellenbogen's “Matter as Software” Concept for Quantum Computer Implementation. C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices
PublicationThe TBN bottom-up strategy of building quantum devices from C60 and X@C60 MBBs is proposed as an extension of the Ellenbogen's “Matter as Software” idea to quantum information processing. The capped SW or DW CNT STM tip is considered as device for manipulating C60 and X@C60 molecules. In this article, the possibility of using easily available on the market C60 Fullerene and endohedral X@C60 molecules together with commercial CNT...
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The Ellenbogen's "Matter as Software" Concept for Quantum Computer Implementation: II Bonding Between the C60 and X@C60 Molecules as Available Molecular Building Blocks (MBBs) for Tip-Based Nanofabrication (TBN) of Quantum Computing Devices
PublicationThe binding energy, BE of the X@C60-X@C60 homodimer and the X@C60-Y@C60 heterodimer resulting from the bond formation between the occupied X@C60 MBB and the C60 molecule was studied by means of semiempirical PM7 calculations, where X and Y denote atoms from H to Bi, excluding Tc and lanthanides. All possible combinations of N = 68 guest atoms were considered, which resulted in K = 2346 of different calculated dimers of (X@C60-Y@C60)...
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The Ellenbogen’s “Matter as Software” Concept for Quantum Computer Implementation: IV. The X@C60 Molecular Building Blocks (MBBs) and Computing System Lifetime Estimation
PublicationThe problem of approximate lifetimes of individual X@C60 MBBs and tip-based nanofabricated quantum computing device systems is discussed under the conservative assumption of single-point failure. A single chemical transformation of the C60 cage into high-energy opened o-C60 isomer which forms the communication canal for the low energy transfer of an X atom from X@C60 MBB to the outside environment was studied. According to the...
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Influence of external climate on natural ventilation performance in buildings
PublicationNatural ventilation is driven by either buoyancy forces or wind pressure forces or their combinations that inherit stochastic variation into ventilation rates [ CITATION Hun99 \l 1045 ]. We now that these factors have influence on air flow speed and thermal comfort inside building. This work examines the relationship between external climate and natural ventilation including thermal comfort. The work tries in the first instance...
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Rigid polyurethane foams modified with selected flame retardants
PublicationThe flame retardants: expandable graphite, triethylphosphatehas been used in rigid polyurethane foams (PUFs). The influence of fillers amounts on processing parameters, physical-mechanical properties (compression strength, density, water absorption, brittleness)and thermal properties (thermal stability) of such foams has been analyzed.The gel, cram and rise time for PUFs modified with flame retardant has been observed during synthesis...
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Simulation of hybridized nanofluids flowing and heat transfer enhancement via 3-D vertical heated plate using finite element technique
PublicationThe present study probed the creation of heat energy and concentrating into Newtonian liquids across vertical 3D-heated plates. The role of the Soret and Dufour theories in concentrating and energy formulas is discussed. The role of hybrid nanoparticles is introduced to illustrate particle efciency in terms of solute and thermal energy. It is removed a viscous dissipation process and a changing magnetic feld. The proposed approach...
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Protective properties of Al2O3 + TiO2 coating produced by the electrostatic spray deposition method
PublicationMechanical resistance of Al2O3 + TiO2 nanocomposite ceramic coating deposited by electrostatic spray deposition method onto X10CrAlSi18 steel to thermal and slurry tests was investigated. The coating was produced from colloidal suspension of TiO2 nanoparticles dispersed in 3 wt% solution of Al2(NO3)3, as Al2O3 precursor, in ethanol. TiO2 nanoparticles of two sizes, 15 nm and 32 nm, were used in the experiments. After deposition,...
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Wave-induced stress and breaking of sea ice in a coupled hydrodynamic–discrete-element wave–ice model
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Discrete-Element bonded-particle Sea Ice model DESIgn, version 1.3a – model description and implementation
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Three-dimensional structure of wave-induced momentum flux in irrotational waves in combined shoaling-refraction conditions
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Molecular-dynamics simulation of clustering processes in sea-ice floes
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Influence of ice concentration and floe-size distribution on cluster formation in sea-ice floes
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Floe-size distributions in laboratory ice broken by waves
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Wave-induced stress and breaking of sea ice in a coupled hydrodynamic discrete-element wave–ice model
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Numerical modeling of force and contact networks in fragmented sea ice
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Wave-induced stress and breaking of sea ice in a coupled hydrodynamic–discrete-element wave–ice model
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Trends and variability of the atmosphere–ocean turbulent heat flux in the extratropical Southern Hemisphere
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Wave-induced stress and breaking of sea ice in a coupled hydrodynamic–discrete-element wave–ice model
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Shear-Jamming in Two-Dimensional Granular Materials with Power-Law Grain-Size Distribution
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Sea-ice floe-size distribution in the context of spontaneous scaling emergence in stochastic systems
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Numerical modelling of water transport processes in partially-connected tidal basins
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Spectral Wave Energy Dissipation due to Under-Ice Turbulence
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High Resolution Sea Ice Floe Size and Shape Data from Knox Coast, East Antarctica
PublicationThis dataset contains floe size distribution data from a very high resolution (pixel size: 0.3 m) optical satellite image of sea ice, acquired on 16 Feb. 2019 off the Knox Coast (East Antarctica). The image shows relatively small ice floes produced by wave-induced breakup of landfast ice between Mill Island and Bowman Island. The ice floes are characterised by a narrow size distribution and angular, polygonal shapes, typical...
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Phase-decoupled refraction–diffraction for spectral wave models
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New source of the thermostable alpha-glucosidase suitable for single stepstarch processing
PublicationZbadana wewnątrzkomórkowa termostabilna alfa-glukozydaza z Thermus thermo-philus przejawia największą aktywność w 85 C przy pH 6.2. Aktywność enzymu po 5 h inkubacji w 75 C (pH 6.2) prawie nie ulega zmianie a okres połowicznej inaktywacji w 85 C wynosi 2 h. Właściwości te wskazują na przydatność wymienionego enzymu w jednoetapowej hydrolizie skrobi.
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Non-linear static stability of bi-layer carbon nanosheets resting on an elastic matrix under various types of in-plane shearing loads in thermo-elasticity using nonlocal continuum
PublicationIn this research, the shear and thermal buckling of bi-layer rectangular orthotropic carbon nanosheets embedded on an elastic matrix using the nonlocal elasticity theory and non-linear strains of Von-Karman was studied. The bi-layer carbon sheets were modeled as a double-layered plate, and van der Waals forces between layers were considered. The governing equations and boundary conditions were obtained using the first order shear...
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Single-phase product obtained via crude glycerine depolymerisation of polyurethane elastomer: structure characterisation and rheological behaviour
PublicationPolyurethane recycling is a topic of growing interest due to the increasing amount of polyurethanewaste. The main purpose of polyurethane feedstock recycling is to recover the starting polyol, a valuable material. In thiswork, amethod of polyurethane thermo-chemical recycling, glycerolysisbymeansof crude glycerine, is proposed. Themaineffort is focusedonthe employment of crude glycerine without purification from biodiesel production...
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Ocena przekształceń piętrowego, ceglanego domu z dachem półpłaskim z przełomu XIX–XX wieku pod wpływem termomodernizacji na przykładzie gminy Puck, woj. pomorskie.
PublicationCeglane budynki mieszkalne z przełomu XIX i XX wieku, które stanowiły charakterystyczny element krajobrazu wsi pomorskiej, obecnie powszechnie poddawane są modernizacji w celu poprawy warunków cieplnych. Przedmiotem badania jest stan zachowania najmłodszego, historycznego typu domuw zagrodzie chłopskiej na Kaszubach – piętrowego, ceglanego domu z dachem półpłaskim. Badanie przeprowadzono na obszarze gminy Puck. Zidentyfikowano...
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Detection of People Swimming in Water Reservoirs with the Use of Multimodal Imaging and Machine Learning
PublicationEvery year in many countries, there are fatal unintentional drownings in different water reservoirs like swimming pools, lakes, seas, or oceans. The existing threats of this type require creating a method that could automatically supervise such places to increase the safety of bathers. This work aimed to create methods and prototype solutions for detecting people bathing in water reservoirs using a multimodal imaging system and...
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Barium boron aluminum silicate glass system for solid state optical gas sensors
PublicationRecent increasing demand for new eco-friendly materials and for low cost fabrication process for use in optical sensors field, raise concern about alternative materials for this application. We have designed two glass-ceramics compositions from the quaternary ROAl2O3- SiO2-B2O3(R=Ba) alkali-earth aluminum silicate system, labeled B72 and B69, with high refractive index (>1.6), large values of Abbe number (94.0 and 53.0, respectively),...
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Acoustic heating produced in the thermoviscous flow of a bingham plastic
PublicationThis study is devoted to the instantaneous acoustic heating of a Bingham plastic. The model of the Bingham plastic's viscous stress tensor includes the yield stress along with the shear viscosity, which differentiates a Bingham plastic from a viscous Newtonian fluid. A special linear combination of the conservation equations in differential form makes it possible to reduce all acoustic terms in the linear part of of the final equation...
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Acoustic heating produced in the thermoviscous flow of a Bingham plastic
PublicationThis study is devoted to the instantaneous acoustic heating of a Bingham plastic. The model of the Bingham plastic's viscous stress tensor includes the yield stress along with the shear viscosity, which differentiates a Bingham plastic from a viscous Newtonian fluid. A special linear combination of the conservation equations in differential form makes it possible to reduce all acoustic terms in the linear part of of the final equation...
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rigid polyurethane foams modified with selected nanofillers
PublicationThe nanofillers: natural montmoryllonite (MMT) - Bentonite, natural MMT modified with a quaternary ammonium salt - Cloisite30B, has been used in rigid polyurethane foams (PUFs). The influence of fillers amounts on processing parameters, physical-mechanical properties (density, water absorption, brittleness and compression strength) and thermal properties (thermal stability, fire behaviours) of such foams has been analysed. The...
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Effect of soil moisture on current-carrying capacity of low-voltage power cables
PublicationOne of the factors affecting current-carrying capacity of underground power cables is the thermal resistivity of soil. Its value in the close proximity of the cable is the most important, and for this reason, in some cases, the local soil is replaced with an another soil type or with a cement-sand mixture. The thermal resistivity of the soil is strongly affected by moisture, and in the case of a cement-sand mixture – as tested...
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Thermoplastic polyurethane/(organically modified montmorillonite) nanocomposites produced by in situ polymerization
PublicationA series of polyurethane nanocomposites were synthesized from thermoplastic polyurethanes (with different hard segment ratios) and two types of organically modified montmorillonites (OMMT) - Cloisite® 10A and Cloisite® 20A. The thermal behavior was examined by non-isothermal thermogravimetry (TG, DTG), Differential Scanning Calorimetry (DSC) and Dynamic-Mechanical Thermal Analysis (DMTA). The results of X-ray analyses showed that...
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Problems of Active Dynamic Thermography Measurement Standardization in Medicine
PublicationReliability of thermographic diagnostics in medicine is an important practical problem. In the field of static thermography, a great deal of effort has been made to define the conditions for thermographic measurements, which is now the golden standard for such research. In recent years, there are more and more reports on dynamic tests with external stimulation, such as Active Dynamic Thermography, Thermographic Signal Reconstruction...
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Structural properties of mixed conductor Ba1−xGd1−yLax+yCo2O6−δ
PublicationBa1−xGd1−yLax+yCo2O6−δ (BGLC) compositions with large compositional ranges of Ba, Gd, and La have been characterised with respect to phase compositions, structure, and thermal and chemical expansion. The results show a system with large compositional flexibility, enabling tuning of functional properties and thermal and chemical expansion. We show anisotropic chemical expansion and detailed refinements of emerging phases as La is...
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Electrophoretic co-deposition of Mn1.5Co1.5O4, Fe2O3 and CuO: Unravelling the effect of simultaneous addition of Cu and Fe on the microstructural, thermo-mechanical and corrosion properties of in-situ modified spinel coatings for solid oxide cell interconnects
PublicationA systematic microstructural, thermo-mechanical and electrical characterization of simultaneous Fe–Cu doped Mn–Co spinel coatings processed by electrophoretic co-deposition on Crofer 22 APU is here reported and discussed. An innovative approach for the simultaneous electrophoretic deposition of three spinel precursors is designed, conceived and optimised, with the aim of outlining time- and energy-saving spinel modification routes....
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Electrocatalytic oxidation of methanol, ethylene glycol and glycerine in alkaline media on TiO2 nanotubes decorated with AuCu nanoparticles for an application in fuel cells
PublicationIn this work, we present the catalytic and photocatalytic activity of AuCu nanostructures obtained on TiO2 nanotubes toward methanol, ethylene glycol and glycerine oxidation. The electrode material is prepared by anodization of Ti foil, thin AuCu layer sputtering and rapid thermal treatment under argon atmosphere. Scanning electron microscopy images confirmed the presence of ordered tubular architecture of TiO2 as well as nanoparticles...
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THE INFLUENCE OF WSR PARAMETER ON PET BOTTLE THICKNESS PROFILE IN SBM FROM PREFORM PROCESS
PublicationFrom a mechanical point of view, the thickness profile of PET bottles manufactured by ISBM process is determined by mechanical and thermal response of blown preforms. From the microscopic point of view the biggest influence on the mechanical and thermal properties of PET bottles have orientation and crystallization processes. From a technological point of view, the thickness profile of PET bottles after manufacture by SBM process...