Wyniki wyszukiwania dla: ENERGY SURFACES
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Advanced Potential Energy Surfaces for Molecular Simulation
PublikacjaAdvanced 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
PublikacjaZostały 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
PublikacjaAb 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
Dane BadawczeThis 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
PublikacjaThis 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
PublikacjaPresented 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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Numerical model for thin liquid film with evaporation and condensation on solid surfaces in systems with conjugated heat transfer
PublikacjaCondensation 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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Michał Ryms dr inż.
Osobydr inż. Michał Ryms, fizyk, absolwent Politechniki Gdańskiej. Pracę doktorską obronił na Wydziale Chemicznym. Od 2011 roku pracuje w Katedrze Aparatury i Maszynoznawstwa Chemicznego Politechniki Gdańskiej, obecnie na stanowisku adiunkta. Działalność naukowa obejmuje: zagadnienia związane z poprawą efektywności energetycznej oraz możliwości nowego zastosowania materiałów zmiennofazowych (PCM) głównie w budownictwie energooszczędnym...
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Poroelastic Low Noise Road Surfaces
PublikacjaNoise 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
PublikacjaPoroelastic 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
PublikacjaW 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
PublikacjaConformal 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
PublikacjaNoise 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.
PublikacjaPraca 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.
PublikacjaPrzedstawiono 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
PublikacjaWe 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
PublikacjaHighly 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
PublikacjaDrainage 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
PublikacjaThis 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...