Search results for: Computer simulation of motion of charged particles in electric and magnetic fields
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The hydrogen bond network structure within the hydration shell around simple osmolytes: Urea, tetramethylurea, and trimethylamine-N-oxide, investigated using both a fixed charge and a polarizable water model
PublicationDespite numerous experimental and computer simulation studies, a controversy still exists regarding the effect of osmolytes on the structure of surrounding water. There is a question, to what extent some of the contradictory results may arise from differences in potential models used to simulate the system or parameters employed to describe physical properties of the mixture and interpretation of the results. Bearing this in mind,...
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RESEARCH OF HYDRAULIC PISTON PUMPS’ START-UP IN LOW AMBIENT TEMPERATURES
PublicationStarting hydraulic pumps in low ambient temperatures may cause: decreased hydraulic-mechanical efficiency, larger vibration of hydraulic installation, faster wear and more frequent damage to the elements of pumps, change of material properties of elements, increase of pressure drop. As a result of increase of resistance of cold oil flow in the suction pipe, large underpressure may be experienced, causing incomplete filling of pump...
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Quantum-classical calculations of the nanomechanical properties of metals
PublicationTradycyjnie symulacje komputerowe układów w skali atomowej prowadzone są przy użyciu klasycznej metody dynamiki molekularnej (MD) bądź kwantowych metod ab initio. Główną wadą ujęcia klasycznego jest jego empiryczna natura, a co za tym idzie - niewielka przenośność, jego prostota natomiast pozwala na przeprowadzanie symulacji układów zawierających miliony atomów. W wyniku zastosowania metod kwantowych otrzymuje się bardziej wiarygodne...
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Development of Biocompatible Fe3O4@SiO2 Nanoparticles as Subcellular Delivery Platform for Glucosamine-6-phosphate Synthase Inhibitors
PublicationNumerous inhibitors of glucoseamine-6-phophate synthase (GlcN-6-P), the enzyme responsible from catalysis of the first step of metabolic pathway leading to metabolism 5’-diphospho-N-acetyl-D- glucosamine, were reported as effective agents for inhibiting the growth of various fungal pathogens. Among the reported inhibitors,...
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Architektura a dekonstrukcja. Przypadek Petera Eisenmana i Bernarda Tschumiego
PublicationArchitecture and Deconstruction Case of Peter Eisenman and Bernard Tschumi Introduction Towards deconstruction in architecture Intensive relations between philosophical deconstruction and architecture, which were present in the late 1980s and early 1990s, belong to the past and therefore may be described from a greater than...