Search results for: TD-DFT calculations

Authors: Wojciech Grochala

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AgF2 is an important two-dimensional antiferromagnet and an analogue of [CuO2]2– sheet. However, the strength of magnetic superexchange as well as magnetic dimensionality have not been explored before . Here we report our recent Raman and neutron scattering experiments which led to better understanding of the magnetic properties of the title compound. It turns out that intra-sheet magnetic superexchange constant reaches 70 meV, thus some 2/3 of the value measured for parent compounds of oxocuprate superconductors which is over 100 meV. The ratio of intra-to-inter-sheet superexchange constants is of the order of 102 rendering AgF2 a quasi-2D material, similar to the said oxocuprates. The quantum mechanical calculations reproduce the abovementioned values quite well and they point out to substantial covalence of the Ag–F bonding. After 3 decades of intense research on layered oxocuprates, AgF2 now stands as a second-to-none analogue of these fascinating systems. It remains to be seen whether this 012 parent compound may be doped in order to achieve superconductivity.

Keywords: antiferromagnets, superexchange, silver, fluorine

Procedia PDF Downloads 129

Authors: C. Schneider, M. M. Seizmeir, T. Suchanek, M. Hutter-Mironovova, M. Bdiwi, M. Putz

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In this paper, a suitable measurement setup is presented to conduct force and pressure measurements for transient contact cases at the example of lathe machine tending. Empirical measurements were executed on a selected collaborative robot’s behavior regarding allowable operating speeds under consideration of sensor- and workpiece-specific factors. Comparisons between the theoretic calculations proposed in ISO/TS 15066 and the practical measurement results reveal a basis for future research. With the created database, preliminary risk assessment and economic assessment procedures of collaborative machine tending cells can be facilitated.

Keywords: biomechanical thresholds, collaborative robots, force and pressure measurements, machine tending, transient contact

Procedia PDF Downloads 243

Authors: Asmaa M. Fahim

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In this investigation, the (E)-2-cyano-3-(dimethylamino)-N-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acrylam-ide (4) which used TAM as a template which interacts with Methacrylic Acid (MAA) monomer, in the presence of CH₃CN as progen. The TAM-MMA complex interactions are dependent on stable hydrogen bonding interaction between the carboxylic acid group of TAM(Template) and the hydroxyl group of MMA(methyl methacrylate) with minimal interference of porogen CH₃CN. The physical computational studies were used to optimize their structures and frequency calculations. The binding energies between TAM with different monomers showed the most stable molar ratio of 1:4, which was confirmed through experimental analysis. The optimized polymers were investigated in industrial applications.

Keywords: molecular imprinted polymer, computational studies, SEM, spectral analysis, industrial applications

Procedia PDF Downloads 159

Authors: Metin Kömsöken, Ayşe Güneş Tanır, Onur Karaman

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Usage of high energy charged particles for diagnosis and treatment has been widespread in medicine. The main purpose is to investigate that Bremsstrahlung which occurs by tissue interactions with charged particles should not be neglected. Nuclear stopping power (Bremsstrahlung) was calculated for lung, brain, skin, muscle, bone (cortical) and water targets for the energies of electrons obtained from LINAC used in radiotherapy and of β+ sources used in positron emission tomography (PET). These calculations were done by using the four different analytical functions including classical Bethe-Bloch, Tsoulfanidis, modified Bethe-Bloch and modified Tsoulfanidis equations. It was concluded that obtained results were compatible with that of National Institute of Standards and Technology (NIST-ESTAR).

Keywords: β- emitting source, bremsstrahlung, therapeutic radionuclides, LINAC

Procedia PDF Downloads 333

Authors: Enes Huylu, Sude Erkin, Nur A. Özdemir, Hatice K. Güney, Cemre S. Atılgan, Hüseyin Y. Altıntaş, Aysemin Top, Muammer Yılman, Özak Durmuş

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Remanufacturing (reman) applications allow manufacturers to contribute to the circular economy and help to introduce products with almost the same quality, environment-friendly, and lower cost. The objective of this study is to present that the carbon footprint of automotive spare parts used in vehicles could be reduced by reman applications based on Life Cycle Analysis which was framed with ISO 14040 principles. In that case, it was aimed to investigate reman applications for 21 parts in total. So far, research and calculations have been completed for the alternator, turbocharger, starter motor, compressor, manual transmission, auto transmission, and DPF (diesel particulate filter) parts, respectively. Since the aim of Ford Motor Company and Ford OTOSAN is to achieve net zero based on Science-Based Targets (SBT) and the Green Deal that the European Union sets out to make it climate neutral by 2050, the effects of reman applications are researched. In this case, firstly, remanufacturing articles available in the literature were searched based on the yearly high volume of spare parts sold. Paper review results related to their material composition and emissions released during incoming production and remanufacturing phases, the base part has been selected to take it as a reference. Then, the data of the selected base part from the research are used to make an approximate estimation of the carbon footprint reduction of the relevant part used in Ford OTOSAN. The estimation model is based on the weight, and material composition of the referenced paper reman activity. As a result of this study, it was seen that remanufacturing applications are feasible to apply technically and environmentally since it has significant effects on reducing the emissions released during the production phase of the vehicle components. For this reason, the research and calculations of the total number of targeted products in yearly volume have been completed to a large extent. Thus, based on the targeted parts whose research has been completed, in line with the net zero targets of Ford Motor Company and Ford OTOSAN by 2050, if remanufacturing applications are preferred instead of recent production methods, it is possible to reduce a significant amount of the associated greenhouse gas (GHG) emissions of spare parts used in vehicles. Besides, it is observed that remanufacturing helps to reduce the waste stream and causes less pollution than making products from raw materials by reusing the automotive components.

Keywords: greenhouse gas emissions, net zero targets, remanufacturing, spare parts, sustainability

Procedia PDF Downloads 81

Authors: R. Khare, R. V. Gelamo, M. A. More, D. J. Late, Chandra Sekhar Rout

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Graphene emerges out as a promising material for various applications ranging from complementary integrated circuits to optically transparent electrode for displays and sensors. The excellent conductivity and atomic sharp edges of unique two-dimensional structure makes graphene a propitious field emitter. Graphene analogues of other 2D layered materials have emerged in material science and nanotechnology due to the enriched physics and novel enhanced properties they present. There are several advantages of using 2D nanomaterials in field emission based devices, including a thickness of only a few atomic layers, high aspect ratio (the ratio of lateral size to sheet thickness), excellent electrical properties, extraordinary mechanical strength and ease of synthesis. Furthermore, the presence of edges can enhance the tunneling probability for the electrons in layered nanomaterials similar to that seen in nanotubes. Here we report electron emission properties of multilayer graphene and effect of plasma (CO2, O2, Ar and N2) treatment. The plasma treated multilayer graphene shows an enhanced field emission behavior with a low turn on field of 0.18 V/μm and high emission current density of 1.89 mA/cm2 at an applied field of 0.35 V/μm. Further, we report the field emission studies of layered WS2/RGO and SnS2/RGO composites. The turn on field required to draw a field emission current density of 1μA/cm2 is found to be 3.5, 2.3 and 2 V/μm for WS2, RGO and the WS2/RGO composite respectively. The enhanced field emission behavior observed for the WS2/RGO nanocomposite is attributed to a high field enhancement factor of 2978, which is associated with the surface protrusions of the single-to-few layer thick sheets of the nanocomposite. The highest current density of ~800 µA/cm2 is drawn at an applied field of 4.1 V/μm from a few layers of the WS2/RGO nanocomposite. Furthermore, first-principles density functional calculations suggest that the enhanced field emission may also be due to an overlap of the electronic structures of WS2 and RGO, where graphene-like states are dumped in the region of the WS2 fundamental gap. Similarly, the turn on field required to draw an emission current density of 1µA/cm2 is significantly low (almost half the value) for the SnS2/RGO nanocomposite (2.65 V/µm) compared to pristine SnS2 (4.8 V/µm) nanosheets. The field enhancement factor β (~3200 for SnS2 and ~3700 for SnS2/RGO composite) was calculated from Fowler-Nordheim (FN) plots and indicates emission from the nanometric geometry of the emitter. The field emission current versus time plot shows overall good emission stability for the SnS2/RGO emitter. The DFT calculations reveal that the enhanced field emission properties of SnS2/RGO composites are because of a substantial lowering of work function of SnS2 when supported by graphene, which is in response to p-type doping of the graphene substrate. Graphene and 2D analogue materials emerge as a potential candidate for future field emission applications.

Keywords: graphene, layered material, field emission, plasma, doping

Procedia PDF Downloads 361

Authors: Mohsen Ehsanpour, Maryam Ehsanpour, ‎Majid Afkhami, Fatemeh Afkhami ‎

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Heavy metals are increasingly being released into natural waters from geological and anthropogenic sources. The distribution of several heavy metals (Cd, Pb) was investigated in muscle, liver in six different fish species seasonally collected in Persian Gulf (autumn 2009-summer 2010). The concentrations of all metals were lower in flesh than those recorded in liver due to their physiological roles. The THQ index for fish was calculated. Estimation of target hazard quotients calculations for the contaminated fish consumption was calculated to evaluate the effect of pollution on health. Total metal THQs values (Pb and Cd) for adults were 0.05 and 0.04 in Bushehr and Bandar-Genaveh, respectively, and for children they were 0.08 and 0.05 in Bandar-Abbas and Bandar-Lengeh, respectively.

Keywords: Persian Gulf, heavy metals, health risks, THQ index

Procedia PDF Downloads 715

Authors: Shahin A. Abdel-Naby, Asad T. Hassan, Stuart Loch, Michael Fogle, Negil R. Badnell, Michael S. Pindzola

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Accurate and reliable laboratory astrophysical data for electron-ion recombination are needed for plasma modeling. Dielectronic recombination (DR) rate coefficients are calculated for boron-like nitrogen and oxygen ions using state-of-the-art multi-configuration Breit-Pauli atomic structure AUTOSTRUCTURE collisional package within the generalized collisional-radiative framework. The calculations are performed in intermediate coupling scheme associated with n = 0 (2  2) and n = 1 (2  3) core-excitations. Good agreements are found between the theoretically convoluted rate coefficients and the experimental measurements performed at CRYRING heavy-ion storage ring for both ions. Fitting coefficients for the rate coefficients are produced for these ions in the temperature range q2(102-107) K, where q is the ion charge before recombination.

Keywords: Atomic data, atomic processes, electron-ion collision, plasma

Procedia PDF Downloads 167

Authors: Kunihisa Kakumoto

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Purpose: The global environmental problem is now raised in the global dimension. The sprawl phenomenon over the natural limitation is to be made a forecast beforehand in an algorithmic way so that the condition of our social life can hopefully be protected under the natural limitation. The sustainable condition in the globe is now to be found to keep the balance between the capacity of nature and the possibility of our social lives. The amount of water on the earth is limited. Therefore, on the reason, sustainable conditions are strongly dependent on the capacity of water. The amount of water can be considered in relation to the area of the green planting because a certain volume of the water can be obtained in the forest, where the green planting can be preserved. We can find the sustainable conditions of the water in relation to the green planting area. The reduction of CO₂ by green planting is also possible. Possible Measure and the Methods: Until now, by the opportunity of many international conferences, the concept of the solar community as one prototype has been introduced by technical papers. The algorithmic trial calculation on the basic concept of the solar community can be taken into consideration. The concept of the solar community is based on the collected data of the solar model house. According to the algorithmic results of the prototype, the simulation work in the globe can be performed as the algorithmic conversion results. This algorithmic study can be simulated by the amount of water, also in relation to the green planting area. Additionally, the submission of CO₂ in the solar community and the reduction of CO₂ by green planting can be calculated. On the base of these calculations in the solar community, the sustainable conditions on the globe can be simulated as the conversion results in an algorithmic way. The digital formation in the solar community can also be taken into consideration by this opportunity. Conclusion: For the finding of sustainable conditions around the globe, the solar community as one prototype has been taken into consideration. The role of the water is very important because the capacity of the water supply is very limited. But, at present, the cycle of the social community is not composed by the point of the natural mechanism. The simulative calculation of this study can be shown by the limitation of the total water supply. According to this process, the total capacity of the water supply and the capable residential number of the population and the areas can be taken into consideration by the algorithmic calculation. For keeping enough water, the green planting areas are very important. The planting area is also very important to keep the balance of CO₂. The simulative calculation can be performed by the relation between the submission and the reduction of CO₂ in the solar community. For the finding of this total balance and the sustainable conditions, the green planting area and the total amount of water can be recognized by the algorithmic simulative calculation. The study for the finding of sustainable conditions can be performed by the simulative calculations on the algorithmic model in the solar community as one prototype. The example of one prototype can be in balance. The activity of the social life must be in the capacity of the natural mechanism. The capable capacity of the natural environment in our world is very limited.

Keywords: the solar community, the sustainable condition, the natural limitation, the algorithmic calculation

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Authors: Hossein Shokouhmand, Majid Hasanpour

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A new modification to the Strelow method of chevron-type plate heat exchangers (PHX) modeling is proposed. The effects of maldistribution are accounted in the resulting equation. The results of calculations are validated by reported experiences. The good accuracy of heat transfer performance prediction is shown. The results indicate that considering flow maldistribution improve the accuracy of predicting the flow and thermal behavior of the plate exchanger. Additionally, a wide range of the parametric study has been presented which brings out the effects of chevron angle of PHE on its thermal efficiency with considering maldistribution effect. In addition, the thermally optimal corrugation discussed for the chevron-type PHEs.

Keywords: chevron angle, plate heat exchangers, maldistribution, strelow method

Procedia PDF Downloads 190

Authors: Ufuk Cebeci, Onur Doğan

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New product becomes critical in competitive environment shortening a product's lifecycle due to the rapidly changing technology and increasing consumer requirements. Quality Function Deployment is one of the first steps of NPD process. The study presents an intelligent QFD application in metal plating industry. For application, an intelligent decision support system was developed. By intelligent system, house of quality was drawn and some calculations were shown. According to the results, some recommendations are given to end user. One of the purposes of this system is to give some advices to firms which do not know technical details of QFD and guide them about first steps of the new product development process.

Keywords: intelligent decision support systems, metal plating, quality function deployment, QFD software, new product development

Procedia PDF Downloads 398

Authors: B. Bahloul

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This study investigates the structural, electronic, and optical properties of LiH and NaH compounds, as well as their ternary mixed crystals LiₓNa1-ₓH, adopting a face-centered cubic structure with space group Fm-3m (number 225). The structural and electronic characteristics are examined using density functional theory (DFT), while empirical methods, specifically the modified Moss relation, are employed for analyzing optical properties. The exchange-correlation potential is determined through the generalized gradient approximation (PBEsol-GGA) within the density functional theory (DFT) framework, utilizing the projected augmented wave pseudopotentials (PAW) approach. The Quantum Espresso code is employed for conducting these calculations. The calculated lattice parameters at equilibrium volume and the bulk modulus for x=0 and x=1 exhibit good agreement with existing literature data. Additionally, the LiₓNa1-ₓH alloys are identified as having a direct band gap.

Keywords: DFT, structural, electronic, optical properties

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Authors: Reda Mankbadi

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In this paper we explore the use of a second-order unstructured-grid, finite-volume code for direct noise prediction. We consider a Mach 1.5 jet impinging on a perpendicular flat plate. Hybrid LES-RANS simulations are used to calculate directly both the flow field and the radiated sound. The ANSYS Fluent commercial code is utilized for the calculations. The acoustic field is obtained directly from the simulations and is compared with the integral approach of Ffowcs Williams-Hawkings (FWH). Results indicate the existence of a preferred radiation angle. The spectrum obtained is in good agreement with observations. This points out to the possibility of handling the effects of complicated geometries on noise radiation by using unstructured second-orders codes.

Keywords: CFD, Ffowcs Williams-Hawkings (FWH), imping jet, ANSYS fluent commercial code, hybrid LES-RANS simulations

Procedia PDF Downloads 452

Authors: Ali Mohammadi

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The construction of Embankment dams is considered one of the most challenging construction projects, for which several main reasons can be mentioned. Excavation and embankment must be done in a large area, and its design is based on preliminary studies, but at the time of construction, it is possible that excavation does not match with the stability or slope of the rock, or the design is incomplete, and corrections should be made in order to be able to carry out excavation and embankment. Also, the progress of the work depends on the main factors, the lack of each of which can slow down the construction of the dams, and lead to an increase in costs, and control of excavations and embankments and calculations of their volumes are done in this collection. In the following, we will investigate three Embankment dams in Iran that faced these challenges and how they overcame these challenges. KHODA AFARIN on the Aras River between the two countries of IRAN and AZARBAIJAN, SIAH BISHEH PUMPED STORAGE on CHALUS River and GOTVAND on KARUN River are among the most important dams built in Iran.

Keywords: section, data transfer, tunnel, free station

Procedia PDF Downloads 73

Authors: D. Alromi, A. Alansari, S. Alghamdi, E. Jambi

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As the need for water is increasing globally, and the available water resources are barely meeting the current quality of life and economy. Air conditioning (AC) condensate water could be explored as an alternative water source, which could be considered within the global calculations of the water supply. The objective of this study is to better understand the potential for recovery of condensate water from air conditioning systems. The results generated so far showed that the AC produces a high quantity of water, and data analysis revealed that the amount of water is positively and significantly correlated with the humidity (P <= 0.05). In the meantime, the amount of heavy metals has been measuring using ICP-OES. The results, in terms of quantity, clearly show that the AC can be used as an alternative source of water, especially in the regions characterized by high humidity. The results also showed that the amount of produced water depends on the type of AC.

Keywords: air conditioning systems, water quantity, water resources, wastewater

Procedia PDF Downloads 213

Authors: Hee-Choul Kwon, Heeyong Kwon

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Image rotation is one of main pre-processing steps for image processing or image pattern recognition. It is implemented with a rotation matrix multiplication. It requires a lot of floating point arithmetic operations and trigonometric calculations, so it takes a long time to execute. Therefore, there has been a need for a high speed image rotation algorithm without two major time-consuming operations. However, the rotated image has a drawback, i.e. distortions. We solved the problem using an augmented two-step shear transform. We compare the presented algorithm with the conventional rotation with images of various sizes. Experimental results show that the presented algorithm is superior to the conventional rotation one.

Keywords: high-speed rotation operation, image rotation, transform matrix, image processing, pattern recognition

Procedia PDF Downloads 277

Authors: Y. A. R. Oliveira, M. A. Couto dos Santos, N. B. C. Júnior, S. J. L. Ribeiro, L. D. Carlos

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The Eu(TTA)3(H2O)2 complex (TTA = thenoyltrifluoroacetone) pure (EuTTA) and incorporated in an organicinorganic hybrid material (EuTTA-hyb) are revisited, this time from the crystal field parameters (CFP) and Judd-Ofelt intensity parameters (Ωλ) point of view. A detailed analysis of the emission spectra revealed that the EuTTA phase still remains in the hybrid phase. Sparkle Model calculations of the EuTTA ground state geometry have been performed and satisfactorily compared to the X-ray structure. The observed weaker crystal field strength of the phase generated by the incorporation is promptly interpreted through the existing EXAFS results of the EuTTA-hyb structure. Satisfactory predictions of the CFP, of the 7F1 level splitting and of the Ωλ in all cases were obtained by using the charge factors and polarizabilities as degrees of freedom of non-parametric models.

Keywords: crystal field parameters, europium complexes, Judd-Ofelt intensity parameters

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Authors: R. A. Petre, S. E. Nichifor, A. Craifaleanu, I. Stroe

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The relative motion of a robotic arm formed by homogeneous bars of different lengths and masses, hinged to each other is investigated. The first bar of the mechanism is articulated on a platform, considered initially fixed on the surface of the Earth, while for the second case the platform is considered to be in rotation with respect to the Earth. For both analyzed cases the motion equations are determined using the Lagrangian formalism, applied in its traditional form, valid with respect to an inertial reference system, conventionally considered as fixed. However, in the second case, a generalized form of the formalism valid with respect to a non-inertial reference frame will also be applied. The numerical calculations were performed using a MATLAB program.

Keywords: Lagrange equations, relative motion, inertial reference frame, non-inertial reference frame

Procedia PDF Downloads 122

Authors: Andrew J. Zacharias

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The forest garden approach (FGA) was established by Trees for the Future (TREES) over the organization’s 30 years of agroforestry projects in Sub-Saharan Africa. This method transforms traditional agricultural systems into highly managed gardens that produce food and marketable products year-round. The effects of the FGA on food security, dietary diversity, and economic resilience have been measured closely, and TREES has begun to closely monitor the environmental impacts through the use of sensors mounted on unmanned aerial vehicles, commonly known as 'drones'. These drones collect thousands of pictures to create 3-D models in both the visible and the near-infrared wavelengths. Analysis of these models provides TREES with quantitative and qualitative evidence of improvements to the annual above-ground biomass and leaf area indices, as measured in-situ using NDVI calculations.

Keywords: agroforestry, biomass, drones, NDVI

Procedia PDF Downloads 157

Authors: Mokdad Sakhri, Youcef Bouhadda

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Thin film chalcopyrite technology is thus nowadays a solid candidate for photovoltaic cells. The currently used window layer for the solar cell Cu(In,Ga)S2 is our interest point in this work. For this purpose, we have performed a first-principles study of structural, electronic and optical properties for both delafossite transparent conductive oxides Cu (In, Ga)O2 and absorbers films Cu(In,Ga)S2. The calculations have been carried out within the local density functional (LDA) and generalized gradient approximations (GGA) combined with the hubbard potential using norm-conserving pseudopotentials and a plane-wave basis with ABINIT code. We have found the energy gap is :1.6, 2.53, 3.6, 3.8 eV for CuInS2, CuGaS2, CuInO2 and CuGaO2 respectively. The results are in good agreement with experimental results.

Keywords: ABINIT code, DFT, electronic and optical properties, solar-cell absorbers, delafossite transparent conductive oxides

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Authors: Moussa Hamdan, Abdulati Abdullah

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This paper presents an investigation of the fabrication of the optical devices in terms of their characteristics based on the use of the electromagnetic waves. Planar waveguides are used to examine the field modes (bound modes) and the parameters required for this structure. The modifications are conducted on surface plasmons based waveguides. Simple symmetric dielectric slab structure is used and analyzed in terms of transverse electric mode (TE-Mode) and transverse magnetic mode (TM-Mode. The paper presents mathematical and numerical solutions for solving simple symmetric plasmons and provides simulations of surface plasmons for field confinement. Asymmetric TM-mode calculations for dielectric surface plasmons are also provided.

Keywords: surface plasmons, optical waveguides, semiconductor lasers, refractive index, slab dialectical

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Authors: Magdalena Grudzińska

Abstract:

Passive systems allow solar radiation to be converted into thermal energy thanks to appropriate building construction. Greenhouse systems are particularly worth attention, due to the low costs of their realization and strong architectural appeal. The paper discusses the energy effects of using passive greenhouse systems, such as glazed balconies, in an example residential building. The research was carried out for five localities in Poland, belonging to climatic zones different in terms of external air temperature and insolation: Koszalin, Poznań, Lublin, Białystok and Zakopane The analysed apartment had a floor area of approximately 74 m² Three thermal zones were distinguished in the flat - the balcony, the room adjacent to it, and the remaining space, for which various internal conditions were defined. Calculations of the energy demand were made using the dynamic simulation program, based on the control volume method. The climatic data were represented by Typical Meteorological Years, prepared on the basis of source data collected from 1971 to 2000. In each locality, the introduction of a passive greenhouse system led to a lower demand for heating in the apartment, and the shortening of the heating season. The smallest effectiveness of passive solar energy systems was noted in Białystok. Demand for heating was reduced there by 14.5% and the heating season remained the longest, due to low temperatures of external air and small sums of solar radiation intensity. In Zakopane, energy savings came to 21% and the heating season was reduced to 107 days, thanks to the greatest insolation during winter. The introduction of greenhouse systems caused an increase in cooling demand in the warmer part of the year, but total energy demand declined in each of the discussed places. However, potential energy savings are smaller if the building's annual life cycle is taken into consideration, and amount from 5.6% up to 14%. Koszalin and Zakopane are localities in which the greenhouse system allows the best energy results to be achieved. It should be emphasized that favourable conditions for introducing greenhouse systems are connected with different climatic conditions. In the seaside area (Koszalin) they result from high temperatures in the heating season and the smallest insolation in the summer period, while in the mountainous area (Zakopane) they result from high insolation in the winter and low temperatures in the summer. In the region of middle and middle-eastern Poland active systems (such as solar energy collectors or photovoltaic panels) could be more beneficial, due to high insolation during summer. It is assessed that passive systems do not eliminate the need for traditional heating in Poland. They can, however, substantially contribute to lower use of non-renewable fuels and the shortening of the heating season. The calculations showed diversification in the effectiveness of greenhouse systems resulting from climatic conditions, and allowed to identify areas which are the most suitable for the passive use of solar radiation.

Keywords: solar energy, passive greenhouse systems, glazed balconies, climatic conditions

Procedia PDF Downloads 367

Authors: Seok Hong Min, Tae Kwon Ha

Abstract:

With the increasing interest on Ti alloys, the extraction process of Ti from its typical ore, TiO₂, has long been and will be important issue. As an intermediate product for the production of pigment or titanium metal sponge, tetrachloride (TiCl₄) is produced by fluidized bed using high TiO₂ feedstock. The purity of TiCl₄ after chlorination is subjected to the quality of the titanium feedstock. Since the impurities in the TiCl₄ product are reported to final products, the purification process of the crude TiCl₄ is required. The purification process includes fractional distillation and chemical treatment, which depends on the nature of the impurities present and the required quality of the final product. In this study, thermodynamic analysis on the impurity effect in the chlorination process, which is the first step of extraction of Ti from TiO₂, has been conducted. All thermodynamic calculations were performed using the FactSage thermodynamical software.

Keywords: rutile, titanium, chlorination process, impurities, thermodynamic calculation, FactSage

Procedia PDF Downloads 308

Authors: Ahmed M. Mansour, Ali M. El-Sawy, Ahmed T. Sayed

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Logarithms reduce products to sums and powers to products; they play an important role in signal processing, communication and information theory. They are primarily used for hardware calculations, handling multiplications, divisions, powers, and roots effectively. There are three commonly used bases for logarithms; the logarithm with base-10 is called the common logarithm, the natural logarithm with base-e and the binary logarithm with base-2. This paper demonstrates different methods of calculation for log2 showing the complexity of each and finds out the most accurate and efficient besides giving in- sights to their hardware design. We present a new method called Floor Shift for fast calculation of log2, and then we combine this algorithm with Taylor series to improve the accuracy of the output, we illustrate that by using two examples. We finally compare the algorithms and conclude with our remarks.

Keywords: logarithms, log2, floor, iterative, CORDIC, Taylor series

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Authors: Attila Vámosi, Tamás Mankovits, Dávid Huri, Imre Kocsis, Tamás Szabó

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Non-linear FEM calculations are indispensable when important technical information like operating performance of a rubber component is desired. Rubber bumpers built into air-spring structures may undergo large deformations under load, which in itself shows non-linear behavior. The changing contact range between the parts and the incompressibility of the rubber increases this non-linear behavior further. The material characterization of an elastomeric component is also a demanding engineering task. The shape optimization problem of rubber parts led to the study of FEM based calculation processes. This type of problems was posed and investigated by several authors. In this paper the time demand of certain calculation methods are studied and the possibilities of time reduction is presented.

Keywords: rubber bumper, data acquisition, finite element analysis, support vector regression

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Authors: Edward J. Kansa, Pavel Holoborodko

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Continuously differentiable radial basis functions (RBFs) are meshfree, converge faster as the dimensionality increases, and is theoretically spectrally convergent. When implemented on current single and double precision computers, such RBFs can suffer from ill-conditioning because the systems of equations needed to be solved to find the expansion coefficients are full. However, the Advanpix extended precision software package allows computer mathematics to resemble asymptotically ideal Platonic mathematics. Additionally, full systems with extended precision execute faster graphical processors units and field-programmable gate arrays because no branching is needed. Sparse equation systems are fast for iterative solvers in a very limited number of cases.

Keywords: partial differential equations, Meshfree radial basis functions, , no restrictions on spatial dimensions, Extended arithmetic precision.

Procedia PDF Downloads 149

Authors: K. M. Etmimi, A. A. Sghayer, A. M. Gsiea, A. M. Abutruma

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Relatively few chemical species can be incorporated into diamond during CVD growth, and until recently the uptake of oxygen was thought to be low perhaps as a consequence of a short surface residence time. Within the literature, there is speculation regarding spectroscopic evidence for O in diamond, but no direct evidence. For example, the N3 and OK1 EPR centres have been tentatively assigned models made up from complexes of substitutional N and substitutional oxygen. In this study, we report density-functional calculations regarding the stability, electronic structures, geometry and hyperfine interaction of substitutional oxygen in diamond and show that the C2v, S=1 configuration very slightly lower in energy than the other configurations (C3v, Td, and C2v with S=0). The electronic structure of O in diamond generally gives rise to two defect-related energy states in the band gap one a non-degenerate a1 state lying near the middle of the energy gap and the other a threefold-degenerate t2 state located close to the conduction band edges. The anti-bonding a1 and t2 states will be occupied by one to three electrons for O+, O and O− respectively.

Keywords: DFT, oxygen, diamond, hyperfine

Procedia PDF Downloads 375

Authors: Y. Galerkin, A. Rekstin, K. Soldatova

Abstract:

Universal modeling method well proven for industrial compressors was applied for design of the high flow rate supersonic stage. Results were checked by ANSYS CFX and NUMECA Fine Turbo calculations. The impeller appeared to be very effective at transonic flow velocities. Stator elements efficiency is acceptable at design Mach numbers too. Their loss coefficient versus inlet flow angle performances correlates well with Universal modeling prediction. The impeller demonstrated ability of satisfactory operation at design flow rate. Supersonic flow behavior in the impeller inducer at the shroud blade to blade surface Φdes deserves additional study.

Keywords: centrifugal compressor stage, supersonic impeller, inlet flow angle, loss coefficient, return channel, shock wave, vane diffuser

Procedia PDF Downloads 467

Authors: Karel Frana, Sylvio Simon

Abstract:

The objective of the paper is a numerical study of heat transfer between perforated metal plates and the surrounding air flows. Different perforation structures can nowadays be found in various industrial products. Besides improving the mechanical properties, the perforations can intensify the heat transfer as well. The heat transfer coefficient depends on a wide range of parameters such as type of perforation, size, shape, flow properties of the surrounding air etc. The paper was focused on three different perforation structures which have been investigated from the point of the view of the production in the previous studies. To determine the heat coefficients and the Nusselt numbers, the numerical simulation approach was adopted. The calculations were performed using the OpenFOAM software. The three-dimensional, unstable, turbulent and incompressible air flow around the perforated surface metal plate was considered.

Keywords: perforations, convective heat transfers, turbulent flows, numerical simulations

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Authors: Surjit Angra, Pooja Rani, Vinod Kumar

Abstract:

In hydro power plant spiral casing and Stay ring is meant to guide the water flow to guide vane and runner. Spiral casing and Stay ring is subjected to static i.e. pressure load as well as fluctuating load acting on the structure due to water hammer effect in water conductor system. Finite element method has been used to calculate stresses on spiral casing and stay ring. These calculations were done for the maximum possible loading under operating condition "LC1 Quick Shut Down”. The design load is reached for the spiral casing and stay ring during the emergency closure of the guide apparatus "LC1 Quick Shut Down”. During this operation the forces from the head cover to the stay ring also reach their maximum.

Keywords: hydro-turbine, spiral casing, stay ring, structural analysis

Procedia PDF Downloads 516