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Search results for: qm/mm calculations
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3D printed ABS thermoplastic vs. steel. Dry sliding wear test in constant load & velocity ring on flat configuration. Test parameters: print layer thickness and orientation. Test symbol: 039_v_2
Open Research DataData gathered in sliding ring-on-block (flat contact) tribological experiment. Materials: alloy steel (heat treated) vs. ABS plastic.
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3D printed ABS thermoplastic vs. steel. Dry sliding wear test in constant load & velocity ring on flat configuration. Test parameters: print layer thickness and orientation. Test symbol: 039_h_3
Open Research DataData gathered in sliding ring-on-block (flat contact) tribological experiment. Materials: alloy steel (heat treated) vs. ABS plastic.
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Potential energy curves of the doublet Sigma gerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma gerade plus (dSg+) states have been calculated for the Lithium dimer cation (Li2+). The results of the ground state and four excited states of the symmetry doublet Sigma gerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Sigma ungerade plus states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Sigma ungerade plus (dSu+) states have been calculated for the Lithium dimer cation (Li2+). The results of the five excited states of the symmetry doublet Sigma ungerade plus have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing...
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Potential energy curves of the doublet Pi and Delta gerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta gerade (dPg and dDg) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta gerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Potential energy curves of the doublet Pi and Delta ungerade states of the Lithium dimer cation
Open Research DataAdiabatic potential energy curves of the doublet Pi and Delta ungerade (dPu and dDu) states have been calculated for the Lithium dimer cation (Li2+). The results of the four excited states of the symmetries doublet Pi and Delta ungerade have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials...
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Change of catalytic parameters for SOFC fueled by H2 and biogas mixture at 750 C
Open Research DataThe dataset contains the Change of catalytic parameters for SOFC fueled by H2 and biogas mixture at 750 C (60:40 CH4:CO2). The outlet concentration of the gases from SOFC were measured using novel FTIR-based unit. The parameters are conversion rates, selectivities and yields of products
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Acoustic emission signals in concrete beams under 3-point bending (beams #1, #2, #3)
Open Research DataThe DataSet contains the results of the mechanical behaviour of concrete beams with dimensions 40 x 40 x 160 cm3under the 3-point bending. The beams were made of concrete with the following ingredients: cement CEM I 42.5R (330 kg/m3), aggregate 0/2 mm (710 kg/m3), aggregate 2/8 mm (664 kg/m3), aggregate 8/16 mm (500 kg/m3), water (165 kg/m3) and super-plasticizer...
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Ball on disk test AL(rf.)-Al2O3-r25
Open Research DataHard particle reinforced Al6061 alloy testing. Laser remelting and kinetic injection of particulate material. Ball on disc tribological test. Ball material: Al2O3. Ball diameter: 5 mm. Sliding path radius: 25 mm. Disk material: Al6061 not treated (reference).
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Ball on disk test AL(rf.)-Al2O3-r15
Open Research DataHard particle reinforced Al6061 alloy testing. Laser remelting and kinetic injection of particulate material. Ball on disc tribological test. Ball material: Al2O3. Ball diameter: 5 mm. Sliding path radius: 15 mm. Disk material: Al6061 not treated (reference).
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Ball on disk test AT4_11-Al2O3-r25
Open Research DataHard particle reinforced Al6061 alloy testing. Laser remelting and kinetic injection of particulate material. Ball on disc tribological test. Ball material: Al2O3. Ball diameter: 5 mm. Sliding path radius: 25 mm. Disk material: Al6061 TiN powder injected (AT4_11).
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Ball on disk test AT3_21-Al2O3-r25
Open Research DataHard particle reinforced Al6061 alloy testing. Laser remelting and kinetic injection of particulate material. Ball on disc tribological test. Ball material: Al2O3. Ball diameter: 5 mm. Sliding path radius: 25 mm. Disk material: Al6061 TiN powder injected (AT3_21).
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Ball on disk test AW4_1-Al2O3-r15
Open Research DataHard particle reinforced Al6061 alloy testing. Laser remelting and kinetic injection of particulate material. Ball on disc tribological test. Ball material: Al2O3. Ball diameter: 5 mm. Sliding path radius: 15 mm. Disk material: Al6061 WC powder injected (AW4_1).
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Ball on disk test AT4_4-Al2O3-r15
Open Research DataHard particle reinforced Al6061 alloy testing. Laser remelting and kinetic injection of particulate material. Ball on disc tribological test. Ball material: Al2O3. Ball diameter: 5 mm. Sliding path radius: 15 mm. Disk material: Al6061 TiN powder injected (AT4_4).
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Ball on disk test AW4_11-Al2O3-r25
Open Research DataHard particle reinforced Al6061 alloy testing. Laser remelting and kinetic injection of particulate material. Ball on disc tribological test. Ball material: Al2O3. Ball diameter: 5 mm. Sliding path radius: 25 mm. Disk material: Al6061 WC powder injected (AW4_11).
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Ball on disk test AT4_1-Al2O3-r15
Open Research DataHard particle reinforced Al6061 alloy testing. Laser remelting and kinetic injection of particulate material. Ball on disc tribological test. Ball material: Al2O3. Ball diameter: 5 mm. Sliding path radius: 15 mm. Disk material: Al6061 TiN powder injected (AT4_1).
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Ball on disk test AT4_41-Al2O3-r25
Open Research DataHard particle reinforced Al6061 alloy testing. Laser remelting and kinetic injection of particulate material. Ball on disc tribological test. Ball material: Al2O3. Ball diameter: 5 mm. Sliding path radius: 25 mm. Disk material: Al6061 TiN powder injected (AT4_41).
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Ball on disk test AT3_2-Al2O3-r15
Open Research DataHard particle reinforced Al6061 alloy testing. Laser remelting and kinetic injection of particulate material. Ball on disc tribological test. Ball material: Al2O3. Ball diameter: 5 mm. Sliding path radius: 15 mm. Disk material: Al6061 TiN powder injected (AT3_2).
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Ball on disk test AW4_4-Al2O3-r15
Open Research DataHard particle reinforced Al6061 alloy testing. Laser remelting and kinetic injection of particulate material. Ball on disc tribological test. Ball material: Al2O3. Ball diameter: 5 mm. Sliding path radius: 15 mm. Disk material: Al6061 WC powder injected (AW4_4).
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Ball on disk test AW4_41-Al2O3-r25
Open Research DataHard particle reinforced Al6061 alloy testing. Laser remelting and kinetic injection of particulate material. Ball on disc tribological test. Ball material: Al2O3. Ball diameter: 5 mm. Sliding path radius: 25 mm. Disk material: Al6061 WC powder injected (AW4_41).
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Data recorded for the purpose of the 3D sound intensity visualization around the organ pipe (des sound)
Open Research DataThe set contains data recorded using the Cartesian robot and multichannel acoustic vector sensor (from Microflown) for the purpose of the 3D sound intensity visualization of radiated acoustic energy around the organ pipe.
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Fire Weather Index data for Poland (March – September 2019) based on high-resolution Weather Research and Forecasting Model
Open Research DataThis dataset contains forecasted FWI indices calculated for the period: March 1 - September 30, 2019, based on the meteorological fields derived from the Weather Research and Forecasting Model (WRF) ver. 4.2.1. For each day FWI data with the forecast range equal 24 and 48 hour were stored in GeoTIFF files. In addition, soil moisture and temperature...
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Parameters of land reference points in the Gdynia region and the Free-air anomaly grid of the South Baltic
Open Research DataThe data was registered during the campaign to verify the catalog value of the absolute point coordinates [point 5403 (POLREF-GORA DONAS)] of the national gravimetric control network. The data was recorded in two three-hour stationary measurement campaigns at the following points: Rozewie of the EUREF-POL network, Góra Donas POLREF, and mareograph points...
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SEM micrographs of 3D printed CB-PLA samples topography after microwave treatment
Open Research DataThis dataset contains the electrochemical studies on microwave-activated carbon-black doped polylactic acid 3D printed electrodes.
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Acoustic emission signals in concrete beams under 3-point bending (plain concrete, steel fibre reinforced concrete, steel bar reinforced concrete)
Open Research DataThe DataSet contains the results of the mechanical behaviour of concrete beams with dimensions 40 x 40 x 160 cm3under the 3-point bending. Two concrete mixes, both based on the same design, were produced in the test programme. Mixture #1 was the plain concrete (PC), consisting of cement CEM I 42.5R (380 kg/m3), water (165 kg/m3), aggregate 0/2 mm (648...
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Simulations of flows in the coastal zone of the Baltic Sea
Open Research DataThe study area is located in the Southern Baltic, within Polish Marine Areas, adjacent to the coastline in the vicinity of Lubiatowo village, where The Coastal Research Station (CRS) – a field laboratory of the Institute of Hydro-Engineering of the Polish Academy of Sciences (IBW PAN) –is situated. The numerical reconstruction of the coastal flow was...
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Transition dipole moment functions of the KRb molecule
Open Research DataElectronic transition dipole moment functions (TDMF) have been calculated for the singlet (s) and triplet (t) Sigma+ (S+), Pi (P), and Delta (D) electronic states of the KRb molecule. TDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the transition dipole moments...
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Permanent dipole moment functions of the KRb molecule
Open Research DataElectronic permanent dipole moment functions (PDMF) have been calculated for the singlet (s) and triplet (t) Sigma+, Sigma-, Pi, and Delta electronic states of the KRb molecule. PDMFs are needed in understanding processes like photodissociation, photoassociation, cooling, and trapping of molecules. All results of the permanent dipole moments have been...
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Born-Oppenheimer potential energy curves of the NaK molecule
Open Research DataAdiabatic potential energy curves (APEC) of the singlet (s) and triplet (t) Sigma+, Pi, and Delta electronic states have been calculated for the NaK molecule. All results of the presented molecular states have been obtained by the nonrelativistic multireference configuration interaction (MRCI) method used with pseudopotentials describing the interaction...
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Data obtained by computation for X-ray imaging of grating without magnification using oriented Gaussian beams
Open Research DataThe propagation of X-ray waves through an optical system consisting of grating and X-ray refractive lenses is considered. In this approach, the propagating wave is represented as a superposition of the oriented Gaussian beams. The direction of wave propagation in each Gaussian beam is consistent with the local propagation direction of the X-ray wavefront.
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Data obtained by computation for X-ray imaging of grating with magnification factor equal 2 using oriented Gaussian beams
Open Research DataThe propagation of X-ray waves through an optical system consisting of grating and X-ray refractive lenses is considered. In this approach, the propagating wave is represented as a superposition of the oriented Gaussian beams. The direction of wave propagation in each Gaussian beam is consistent with the local propagation direction of the X-ray wavefront.
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Data obtained by computation for X-ray imaging of grating with magnification factor equal 4 using oriented Gaussian beams
Open Research DataThe propagation of X-ray waves through an optical system consisting of grating and X-ray refractive lenses is considered. In this approach, the propagating wave is represented as a superposition of the oriented Gaussian beams. The direction of wave propagation in each Gaussian beam is consistent with the local propagation direction of the X-ray wavefront.
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Data obtained by computation for X-ray imaging of grating with magnification factor equal 8 using oriented Gaussian beams
Open Research DataThe propagation of X-ray waves through an optical system consisting of grating and X-ray refractive lenses is considered. In this approach, the propagating wave is represented as a superposition of the oriented Gaussian beams. The direction of wave propagation in each Gaussian beam is consistent with the local propagation direction of the X-ray wavefront.
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Complex modulus of Cement Bitumen Treated Material Mixture C3E5.5 (over 28 days of curing at 20C)
Open Research DataDataset presents data of complex modulus determined for cold recycled mixture – cement bitumen treated material mixture with following binding agents: 3% cement and 5.5% emulsion (C3E5.5). Mixture was designed according to Polish requirements for the base course of pavement. Mixture contains 60% of RAP material. Specimen size: f=100 mm, h=130 mm. Specimen...
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Gold nanocubic structures agglomeration when put on conductive surfaces
Open Research DataThis dataset contains SEM images of gold nanocubes (AuNC), which were deposited at the conductive Si wafer surface and dried. The deposition method, the solvent used and AuNC concentration have a significant influence on the homogeneous distribution and their agglomeration at the surface, further influencing the electrochemical characteristics of the...
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The experimental results of diesel fuel spray with marine engine injector
Open Research DataThe data set presents the measurement of the diesel fuel spray from with marine engine injector. The main target presents results is a study of the time course of macro parameters (spray tip penetration, spray cone angle) of fuel spray in the cylinder of marine diesel engine. The impact of ambient conditions and the geometrical parameters of the injector...
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Compression test results of fused filamend fabricated polylactyde and polylactyde with carbon fiber filler
Open Research DataThe DataSet contains the results of the mechanical behaviour of cube specimens with dimensions 30 x 30 x 30 cm3. The specimens were additively manufactured with the fused filament fabrication (FFF) method. They used two different materials polylactide (PURE PLA) and polylactide with carbon fibre filler (PLA+CF). The specimens were segregated into three...
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Terrestrial Survey Images - 3D Exterior Model - Zukowo Church - Canon
Open Research DataDataset description: Raw images from photogrammetric survey. Object: Parafia Wniebowzięcia Najświętszej Maryi Panny w ŻukowieLocation: Żukowo, Pomorskie, Kartuski County, PolandDrone type: n/a (Teresstrial images)Flight plan: CircleTarget Product: 3D ModelDate: 21.04.2018Direct georeferencing: yesMetadata data: NoGCP: NoCamera Name: Canon EOS 500DModel...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 218-224, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 239-245, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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Dual role of oxygen-related defects in the luminescence kinetics of AlNMn2+
Open Research DataThis dataset presents the impact of temperature and pressure on AlN:Mn2+ luminescence kinetics. Unusual behavior of Mn2+ optical properties during UV excitation is observed, where a strong afterglow luminescence of Mn2+ occurs even at low temperatures. When the temperature increases, the contribution of the afterglow luminescence is further enhanced,...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 225-231, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 267-273, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 281-287, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 295-301, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 211-217, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 302-308, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 253-259, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 274-280, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...
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WRF-METEOPG: numerical weather forecast data for Poland - Days 246-252, Year 2021
Open Research DataWRF-METEOPG is a numerical weather forecast system developed at the Faculty of Civil and Environmental Engineering, Gdansk University of Technology, Poland. The system was built on the basis of the Weather Research and Forecast model version 4.2 and implemented at Centre of Informatics Tricity Academic Supercomputer & Network. Physics parametrization...