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Search results for: ENERGY SURFACES
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Advanced Potential Energy Surfaces for Molecular Simulation
PublicationAdvanced potential energy surfaces are defined as theoretical models that explicitly include many-body effects that transcend the standard fixed-charge, pairwise-additive paradigm typically used in molecular simulation. However, several factors relating to their software implementation have precluded their widespread use in condensed-phase simulations: the computational cost of the theoretical models, a paucity of approximate models...
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Adiabatic potential energy surfaces of the vinoxy radical
PublicationZostały obliczone powierzchnie energetyczne stanu podstawowego i dwóch najniższych stanów wzbudzonych.
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
PublicationAb initio quantum chemistry calculations are performed for the mixed alkali triatomic system. Global minima of the ground and first excited doublet states of the trimer are found and Born-Oppenheimer potential energy surfaces of the Li atom interacting with the LiCs molecule were calculated for these states. The lithium atom is placed at various distances and bond angles from the lithium-caesium dimer. Three-body nonadditive forces...
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Potential energy surfaces of the low-lying electronic states of the Li+LiCs system
Open Research DataThis data presents potential energy surfaces of Li atom interacting with LiCs dimer for the ground and first excited state. They were calculated using effective core potentials and MRCI method and include relativistic effects. The interatomic distance in the dimer is kept constant and equal to experimental value of 6.931704423 bohrs (3.6681 A). Energy...
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Parametrization of Backbone−Electrostatic and Multibody Contributions to the UNRES Force Field for Protein-Structure Prediction from Ab Initio Energy Surfaces of Model Systems
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Structural and electrochemical heterogeneities of boron-doped diamond surfaces
PublicationThis brief review is focussed on the recent progress in studies of the heterogeneous electrochemical behaviour of various boron-doped materials extending from zero-dimensional particles through polycrystalline or nanostructured three-dimensional surfaces. A boron-doped diamond reveals large heterogeneities induced by numerous factors, inter alia multi-faceted crystallinity, inhomogeneous boron concentration, sp2/sp3-carbon ratio,...
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Thermal and hydraulic phenomena in boundary layer of minijets impingement on curved surfaces
PublicationPresented work considers flow and thermal phenomena occurring during the single minijet impingement on curved surfaces, heated with a constant heat flux, as well as the array of minijets. Numerical analyses, based on the mass, momentum and energy conservation laws, were conducted, regarding single phase and two-phase simulations. Focus was placed on the proper model construction, in which turbulence and boundary layer modeling...
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Comparison of Tire Rolling Resistance Measuring Methods for Different Surfaces
PublicationThe rolling resistance of car tires is one of the most important parameters characterizing tires today. This resistance has a very significant contribution to the energy consumption of wheeled vehicles. The climate crisis has forced tire and car manufacturers to place great emphasis on the environmental impact of their products. Paradoxically, the development of electric vehicles has led to an even greater importance of rolling...
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Michał Ryms dr hab. inż.
PeopleMichał Ryms, PhD, DSc, Eng. is the physicist, graduate of the Gdańsk University of Technology. PhD thesis defended at the Chemical Faculty. Since 2011 an employee at the Department of Energy Conversion and Storage, Chemical Faculty, Gdansk University of Technology, POLAND – now as an associate professor. His research interests includes: improvement of energy efficiency and possibilities of new application of phase change materials...
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Numerical model for thin liquid film with evaporation and condensation on solid surfaces in systems with conjugated heat transfer
PublicationCondensation and evaporation processes from wetted surfaces are of utmost importance in many technological or industrial applications. In many devices such as home-appliances and air conditioning systems just to name a few, condensation and evaporation processes greatly impact their performance and energy efficiency; The physics of these processes is quite complex, involving conjugate heat transfer among solid–liquid film-gaseous...
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Poroelastic Low Noise Road Surfaces
PublicationNoise is one of the most important problems related to road traffic. During the last decades, noise emitted by engine and powertrain of vehicles was greatly reduced and tyres became a clearly dominant noise source. The paper describes the concept of low noise poroelastic road surfaces that are composed with mineral and rubber aggregate bound by polyurethane resin. Those surfaces have a porous structure and are much more flexible...
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Poroelastic Road Surfaces - State of The Art
PublicationPoroelastic Road Surfaces (PERS) constitute a specific group of pavements containing a great amount of crumbled rubber. In most cases rubber aggregate constitutes about 20% of the mixture (by weight) and a polyurethane resin is used as a binder. As a result, PERS is characterized by a much higher elasticity than asphalt and a high porosity typical for drainage pavements. Due to this, tire/road noise is greatly reduced and on top...
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Wetting of surfaces with ionic liquids
PublicationW pracy skupiono się na ocenie zwilżalności wybranych powierzchni stałych cieczami jonowymi. Jako związki testowe zastosowano chlorki dialkiloimidazoliowe. Porównano kąty zwilżania wybranych cieczy jonowych stosując metodę wzniesienia kapilarnego oraz metodę siedzącej kropli. Podczas testu zaobserwowano obniżanie wartości współczynnika lepkości cieczy jonowych wynikającą z ekspozycji płynu na parę wodną zawartą w powietrzu atmosferycznym....
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UWB Microstrip Antennas on a Cylindrical Surfaces
PublicationConformal antennas are becoming popular due to their many advantages and possibilities of applications they offer. The advantages of using antennas with a curved surface arise not only from the possibility of integrating them with the object on which they are mounted on but also from the increase, relatively to planar antennas, of their visible angular range. The circular antenna arrays, or arrays of radiators located on the surface...
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Ultra Low Noise Poroelastic Road Surfaces
PublicationNoise is one of the most important environmental problems related to road traffic. During the last decades, the noise emitted by the engines and powertrains of vehicles was greatly reduced and tires became a clearly dominant noise source. The article describes the concept of low noise poroelastic road surfaces that are composed of mineral and rubber aggregate bound by polyurethane resin. Those surfaces have a porous structure and...
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Survivability weighted floodable length surfaces.
PublicationPraca przedstawia nowy typ krzywych grodziowych dla przedziałów poprzecznych, obliczanych dla zadanej wartości mnożnika si, traktowanego jako parametr. Krzywe takie są niezależne od aktualnego podziału grodziowego statku. Są niezmiernie użyteczne do otymalizowania podziału grodziowego w świetle probabilistycznych przepisów niezatapialności.
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Surfaces formability of PM parts by lapping.
PublicationPrzedstawiono wyniki badań docierania elementów spiekanych. Określono wpływ podstawowych warunków obróbki na jakość powierzchni płaskich oraz omówiono sposób wymuszonej aktywizacji powierzchni docieraka metalowego ścierniwem.
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Minimal surfaces and conservation laws for bidimensional structures
PublicationWe discuss conservation laws for thin structures which could be modeled as a material minimal surface, i.e., a surface with zero mean curvatures. The models of an elastic membrane and micropolar (six-parameter) shell undergoing finite deformations are considered. We show that for a minimal surface, it is possible to formulate a conservation law similar to three-dimensional non-linear elasticity. It brings us a path-independent...
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Photoelectrochemically Active N‐Adsorbing Ultrathin TiO2 Layers for Water‐Splitting Applications Prepared by Pyrolysis of Oleic Acid on Iron Oxide Nanoparticle Surfaces under Nitrogen Environment
PublicationHighly performing photocatalytic surfaces are nowadays highly desirable in energy fields, mainly due to their applicability as photo water‐splitting electrodes. One of the current challenges in this field is the production of highly controllable and efficient photoactive surfaces on many substrates. Atomic layer deposition has allowed the deposition of photoactive TiO2 layers over wide range of materials and surfaces. However,...
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Biological hazards in low noise, poroelastic road surfaces
PublicationDrainage pavements as well as poroelastic pavements ("PERS") are a very efficient way to decrease traffic noise by reducing tire/road noise at the source as well as noise propagation over the road surface. Many noise generating mechanisms at the tire/road interface are very much reduced by road porosity (pipe resonance, "air pumping", Helmholtz resonance and the horn effect). A well-designed porous or poroelastic road surface may...
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Technological Problems in Lapping on Flat Surfaces of Ceramic Parts
PublicationThis paper will present the results of research on single-disc lapping of flat surfaces of small ceramic elements. Machining with the use of different tools such as metallic, two-metallic and abrasive-metallic will be analyzed. The basics and techniques of reinforcement of laps will be discussed. The results of the influence of parameters on the surface quality of ceramic conponents (sealing) for three treatments on lapping machines...
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Lapping of flat surfaces with two metallic tools.
PublicationPrzedstawiono opis docierania powierzchni płaskich docierakami aktywizowanymi w sposób swobodny i wymuszony oraz narzędziami dwumetalowymi i ściernometalowymi. Wyznaczono zużycie docieraków stalowo-żeliwnych oraz wydajność obróbki żeliwa sferoidalnego niestopowego i stali NC6.
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Flow and pool boiling on porous coated surfaces
PublicationOmówiono wpływ powłoki porowatej na przebieg wrzenia w przepływie i w dużej objętości na przykładzie własnych badań eksperymentalnych.
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Flow and pool boiling on porous coated surfaces
PublicationPrzedstawiono wyniki badań eksperymentalnych wrzenia na:a)rurkach i płytkach z powłokami porowatymi o różnej grubości i porowatości, b) rurkach, których jedynie górna część była pokryta powłoką porowatą, c) pęku rur wykonanym z rurek z powłoką porowatą. Zaprezentowano również wyniki pomiarów współczynnika przejmowania ciepła i spadku ciśnienia podczas wrzenia w w przepływie wybranych czynników chłodniczych i ich mieszanin z olejem...
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Reduction of Tire Rolling Resistance by Optimization of Road Surfaces and Tires
PublicationDuring interaction between tire and road surface three very important phenomena are always in effect. One of them (very desirable) is friction that is important for traction, braking and cornering. Two other phenomena are not desirable at all, that is rolling resistance and noise. This paper discusses relations between road surface and tire parameters versus tire rolling resistance. Road surface texture, porosity, impedance, strength...
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Tailoring diamondised nanocarbon-loaded poly(lactic acid) composites for highly electroactive surfaces: extrusion and characterisation of filaments for improved 3D-printed surfaces
PublicationA new 3D-printable composite has been developed dedicated to electroanalytical applications. Two types of diamondised nanocarbons - detonation nanodiamonds (DNDs) and boron-doped carbon nanowalls (BCNWs) - were added as fillers in poly(lactic acid) (PLA)-based composites to extrude 3D filaments. Carbon black served as a primary filler to reach high composite conductivity at low diamondised nanocarbon concentrations (0.01 to 0.2...
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Resonant Frequencies in the Open Microstrip Structures Placed on Curved Surfaces
PublicationThe paper presents the research on open microstrip structures placed on curved surfaces such as cylindrical, elliptical or spherical. The numerical analysis of investigated structures is based on expansion of electric and magnetic fields into suitable function series. Utilizing the continuity conditions the boundary problem is formulated which is solved with the use of method of moments. The investigated structures find application...
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Microgrinding of flat surfaces on a single-disc lapping machine
PublicationW referacie przedstawiono wyniki badań eksperymentalnych mikroszlifowania z kinematyką docierania jednotarczowego. Przedstawiono propozycję narzędzia z wkładkami ściernymi z ziarnem diamentowym D3/2 i spoiwem żywicznym. Omówiono kinematykę docierania jednotarczowego i sposób oceny krzywizny rys obróbkowych.
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Microgrinding of flat surfaces on single-disk lapping machine
PublicationW pracy przedstawiono wyniki badań mikroszlifowania z kinematyką docierania w układzie jednotarczowym z wykorzystaniem nowego narzędzia wykonanego z pastylek ściernych z ziarnem diamentowym (D3/2) i spoiwem żywicznym. Zakres pracy obejmował przeprowadzenie badań eksperymentalnych i modelowych związanych z analizą promienia krzywizny rys obróbkowych.
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Microgrinding of flat surfaces on single-disc lapping machine
PublicationW pracy przedstawiono możliwości zastosowania specjalnych narzędzi do mikroszlifowania na docierarce jednotarczowej. Jedno z zastosowanych narzędzi posiada warstwę ścierniwa diamentowego (D64) nałożoną metodą galwaniczną. Drugie przetestowane narzędzie zbudowane zostało z diamentowych pastylek ściernych (D3/2). Przedstawiono analizę kinematyczną i wyniki ubytku materiałowego oraz osiągnięte parametry chropowatości.
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Advances in Measurement and Data Analysis of Surfaces with Functionalized Coatings
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Wetting Properties of Polyetheretherketone Plasma Activated and Biocoated Surfaces
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Functionalization of electrode surfaces with monolayers of azocompounds and gold clusters.
PublicationWłaściwości monowarstw z azokoron na powierzchni złota były badane przy pomocy woltametrii i STM. Powierzchnia przypadająca na cząsteczkę została wyznaczona przy pomocy woltametrii i wynosi 0,65 nm kwadratowych. Wartość ta jest zgodna z wyznaczoną w oparciu o monowarstwę utworzoną na granicy powietrze-woda techniką Langmir-Blodgett. Tworzenie się klasterów złota i innych struktur obserwowano przy pomocy STM w przypadku gdy złota...
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Machining of the flat surfaces with abrasive-metallic lapping tools.
PublicationPrzedstawiono konstrukcje narzędzi ścierno-metalowych do obróbki powierzchni płaskich na docierarkach jednotarczowych. Przeprowadzono badania wydajności i jakości powierzchni elementów ceramicznych o małych gabarytach.
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Oxide Layers Fabricated by Spray Pyrolysis on Metallic Surfaces
Publicationw pracy przedstawiono wyniki badań nad opracowaniem optymalnych warunków przygotowania warstwy stabilizowanego itrem cyrkonu jako prekursora na stali 316L jako podłoża za pomocą pirolizy aerozolowej.
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Integrated production technology of cylindrical surfaces by turning and burnishing
PublicationThe method is based on a combination of previously used two separate operations namely machining and burnishing in a one complex operation implemented on a lathe.In the case of machining shafts and hydraulic cylinders of steel C45 is possible to obtain a surface roughness Ra=0,16 - 0,32 micrometers, dimensional accuracy class 7-8 according to ISO standards, and increase in the hardness of the surface up to 40%.
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Criteria for assessment of pine wood surfaces after planing
PublicationThe arise of defects in raw material as well as a machined part in most cases causes need to qualify the final product (wooden frames) as a scrap part or an additional work activity must be done. In the paper selected results of the effect of the material defects on the surface quality of the elements after planing and painting are presented. The materials under production were glulam elements of pine wood. Research experiments...
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Lapping flat surfaces with forced dosing of abrasive suspension
PublicationPrzedstawiono zbudowane stanowisko do badań wymuszonego dawkowania zawiesiny ściernej w procesie jednostronnego docierania powierzchni płaskich. Podano przyjęty program badań oraz sposób opracowania wyników realizowanych eksperymentów.
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Lapping flat surfaces with forced dosing of abrasive suspension
PublicationPrzedstawiono zbudowane stanowisko badawcze umożliwiające wymuszone dozowanie zawiesiny ściernej w operacji docierania jednotarczowego powierzchni płaskich. Podano program badań własnych oraz sposób opracowania otrzymanych wyników realizowanych eksperymentów.
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Profile irregularities of turned surfaces as a result of machine tool interactions
PublicationThe paper describes the influence of the machining operation on a surface, which disturbs the projection of the tool profile in the form of its relative movements with respect to the object. The elements of the machine tool undergo constant wear during the machining process, it is therefore important to recognize the effects of their influence on the surface's irregularities. Amplitude-frequency analysis of lateral profiles has...
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Application of Stirling Engine Type Alpha Powered by the Recovery Energy on Vessels
PublicationThe Stirling engine is a device, in which thermal energy is transformed into mechanical without a contact between the heat carrier, and the working gas closed in the engine. Mentioned feature makes this type of engine very attractive for the use of the recovery energy, taken from other heat devices. One of the potential applications of Stirling engines is the use of thermal energy generated in the ship's engine room for producing...
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A graphical approach to yield and boundary surfaces of selected hypoplastic constitutive equations
PublicationThe article describes how to identify the boundary and yield surface for hypoplastic constitutive equations proposed by Wu, Gudehus and Bauer. It is shown how to identify and plot the surfaces for any equation in this class. Calculation errors are analyzed characteristic for appleid set of numerical formulas. In the paper there are computer links to the source code prepared in the MATLAB system, based on istructions in the article....
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Determining the optimal filling of the surface with a linker with Universal Force Field and Reax Force Field
Open Research DataThe DataSet contains the atomic slabs of diamond surfaces with ATP molecules in water. The calculated data includes different sized surfaces from 90 Angstrom^2 to 691 Angstrom^2. Structures were relaxed using the Reax Force Field method with the Limited Memory Broyden–Fletcher–Goldfarb–Shanno algorithm. Structures were calculated with a convergence...
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Risks related to car fire on innovative Poroelastic Road Surfaces-PERS
PublicationTo reduce tyre/road noise, the concept of poroelastic road surfaces (PERS) was invented. PERS is a road surface material that is porous, and at the same time, it is flexible because of the substantial amount of rubber granulate content (from 20% to 85%). The rubber and stone particles are bound by polyurethane resin instead of bitumen. It was feared that in case of fire, because of the high content of rubber and polyurethane, there...
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Roughness evaluation of turned composite surfaces by analysis of the shape of Autocorrelation Function
PublicationIn this paper, the application of an Autocorrelation Function for the characterisation of surface topography was validated. The roughness evaluation of turned composite surfaces was supported by sophisticated studies of the Autocorrelation Function properties, considering especially the shape of the function. Details were measured with the optical method. The selection of the surface roughness evaluation procedures was carried...
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Study of abrasive slurry dosage in flat surfaces lapping process
PublicationPrzedstawiono wyniki badań dozowania pasty i zawiesiny ściernej w procesach docierania powierzchni płaskich. Badano wpływ wielkości dawki ścierniwa na podstawowe parametry chropowatości powierzchni elementów miedzianych i ceramicznych. Docierano miedź betlenową MOOB oraz ceramikę Al2O3 i Al2O3-ZrO2 mikroziarnami węglika krzemu i węglika boru.
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Measurements of head surfaces of endoprostheses = Pomiary powierzchni głów endoprotez
PublicationW niniejszej pracy rozpatrywane są połowicze i całkowite endoprotezy. Rezultaty badań koncentrują się na wynikach pomiarów chropowatości powierzchni głów połowiczych i całkowitych endoprotez stawu biodrowego. Pomiary dokonane zostały dla połowiczych endoprotez z głową przyspawaną do trzpienia oraz endoprotez Frankobala z dwuczęściową głową osadzoną na sworzniu. Pomiary powierzchni dla próbek powierzchni głowy, całkowitej i połowiczej...
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Investigation on the edge forces in ball end milling of inclined surfaces
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Technological and tribological aspects of milling-burnishing process of complex surfaces
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Simulation of induction hardening of flat surfaces of moving massive elements
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