Search results for: quantum mechanical calculations

Authors: Sh. Sousani, Z. Shadrokh, M. Hofbauerová, J. Kollár, M. Jergel, P. Nádaždy, M. Omastová, E. Majková

Abstract:

Perovskite quantum dots (PQDs) have the potential to increase the performance of the perovskite solar cell (PSCs). The integration of PQDs into PSCs can extend the absorption range and enhance photon harvesting and device efficiency. In addition, PQDs can stabilize the device structure by passivating surface defects and traps in the perovskite layer and enhance its stability. The integration of PQDs into PSCs is strongly affected by the type of ligands on the surface of PQDs. The ligands affect the charge transport properties of PQDs, as well as the formation of well-defined interfaces and stability of PSCs. In this work, the CsPbBr₃ QDs were synthesized by the conventional hot-injection method using cesium oleate, PbBr₂ and two different ligands, namely oleic acid (OA) oleylamine (OAm) and didodecyldimethylammonium bromide (DDAB). The STEM confirmed regular shape and relatively monodisperse cubic structure with an average size of about 10-14 nm of the prepared CsPbBr₃ QDs. Further, the photoluminescent (PL) properties of the PQDs/perovskite bilayer with the ligand OA, OAm and DDAB were studied. For this purpose, ITO/PQDs as well as ITO/PQDs/MAPI perovskite structures were prepared by spin coating and the effect of the ligand and oxygen plasma treatment was analyzed. The plasma treatment of the PQDs layer could be beneficial for the deposition of the MAPI perovskite layer and the formation of a well-defined PQDs/MAPI interface. The absorption edge in UV-Vis absorption spectra for OA, OAm CsPbBr₃ QDs is placed around 513 nm (the band gap 2.38 eV); for DDAB CsPbBr₃ QDs, it is located at 490 nm (the band gap 2.33 eV). The photoluminescence (PL) spectra of CsPbBr₃ QDs show two peaks located around 514 nm (503 nm) and 718 nm (708 nm) for OA, OAm (DDAB). The peak around 500 nm corresponds to the PL of PQDs, and the peak close to 710 nm belongs to the surface states of PQDs for both types of ligands. These surface states are strongly affected by the O₃ plasma treatment. For PQDs with DDAB ligand, the O₃ exposure (5, 10, 15 s) results in the blue shift of the PQDs peak and a non-monotonous change of the amplitude of the surface states' peak. For OA, OAm ligand, the O₃ exposition did not cause any shift of the PQDs peak, and the intensity of the PL peak related to the surface states is lower by one order of magnitude in comparison with DDAB, being affected by O₃ plasma treatment. The PL results indicate the possibility of tuning the position of the PL maximum by the ligand of the PQDs. Similar behavior of the PQDs layer was observed for the ITO/QDs/MAPI samples, where an additional strong PL peak at 770 nm coming from the perovskite layer was observed; for the sample with PQDs with DDAB ligands, a small blue shift of the perovskite PL maximum was observed independently of the plasma treatment. These results suggest the possibility of affecting the PL maximum position and the surface states of the PQDs by the combination of a suitable ligand and the O₃ plasma treatment.

Keywords: perovskite quantum dots, photoluminescence, O₃ plasma., Perovskite Solar Cells

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Authors: Sh. Sousani, Z. Shadrokh, M. Hofbauerová, J. Kollár, M. Jergel, P. Nádaždy, M. Omastová, E. Majková

Abstract:

Perovskite quantum dots (PQDs) have the potential to increase the performance of the perovskite solar cells (PSCs). The integration of PQDs into PSCs can extend the absorption range and enhance photon harvesting and device efficiency. In addition, PQDs can stabilize the device structure by passivating surface defects and traps in the perovskite layer and enhance its stability. The integration of PQDs into PSCs is strongly affected by the type of ligands on the surface of PQDs. The ligands affect the charge transport properties of PQDs, as well as the formation of well-defined interfaces and stability of PSCs. In this work, the CsPbBr₃ QDs were synthesized by the conventional hot-injection method using cesium oleate, PbBr₂, and two different ligands, namely oleic acid (OA)@oleylamine (OAm) and didodecyldimethylammonium bromide (DDAB). The STEM confirmed regular shape and relatively monodisperse cubic structure with an average size of about 10-14 nm of the prepared CsPbBr₃ QDs. Further, the photoluminescent (PL) properties of the PQDs/perovskite bilayer with the ligand OA@OAm and DDAB were studied. For this purpose, ITO/PQDs, as well as ITO/PQDs/MAPI perovskite structures, were prepared by spin coating, and the effect of the ligand and oxygen plasma treatment was analysed. The plasma treatment of the PQDs layer could be beneficial for the deposition of the MAPI perovskite layer and the formation of a well-defined PQDs/MAPI interface. The absorption edge in UV-Vis absorption spectra for OA@OAm CsPbBr₃ QDs is placed around 513 nm (the band gap 2.38 eV); for DDAB CsPbBr₃ QDs, it is located at 490 nm (the band gap 2.33 eV). The photoluminescence (PL) spectra of CsPbBr₃ QDs show two peaks located around 514 nm (503 nm) and 718 nm (708 nm) for OA@OAm (DDAB). The peak around 500 nm corresponds to the PL of PQDs, and the peak close to 710 nm belongs to the surface states of PQDs for both types of ligands. These surface states are strongly affected by the O₃ plasma treatment. For PQDs with DDAB ligand, the O₃ exposure (5, 10, 15 s) results in the blue shift of the PQDs peak and a non-monotonous change of the amplitude of the surface states' peak. For OA@OAm ligand, the O₃ exposition did not cause any shift of the PQDs peak, and the intensity of the PL peak related to the surface states is lower by one order of magnitude in comparison with DDAB, being affected by O₃ plasma treatment. The PL results indicate the possibility of tuning the position of the PL maximum by the ligand of the PQDs. Similar behaviour of the PQDs layer was observed for the ITO/QDs/MAPI samples, where an additional strong PL peak at 770 nm coming from the perovskite layer was observed; for the sample with PQDs with DDAB ligands, a small blue shift of the perovskite PL maximum was observed independently of the plasma treatment. These results suggest the possibility of affecting the PL maximum position and the surface states of the PQDs by the combination of a suitable ligand and the O₃ plasma treatment.

Keywords: perovskite quantum dots, photoluminescence, O₃ plasma., perovskite solar cells

Procedia PDF Downloads 65

Authors: Rachid El Aidani, Phuong Nguyen-Tri, Toan Vu-Khanh

Abstract:

The filter media in synthetic fibre is the most geotextile materials used in aerosol and drainage filtration, particularly for buildings soil reinforcement in civil engineering due to its appropriated properties and its low cost. However, the current understanding of the durability and stability of this material in real service conditions, especially under severe long-term conditions are completely limited. This study has examined the effects of the chemical aging of a filter media in polyester non-woven under different temperatures (50, 70 and 80˚C) and pH (2. 7 and 12). The effect of aging conditions on mechanical properties, morphology, permeability, thermal stability and molar weigh changes is investigated. The results showed a significant reduction of mechanical properties in term of tensile strength, puncture force and tearing forces of the filter media after chemical aging due to the chemical degradation. The molar mass and mechanical properties changes in different temperature and pH showed a complex dependence of material properties on environmental conditions. The SEM and AFM characterizations showed a significant impact of the thermal aging on the morphological properties of the fibers. Based on the obtained results, the lifetime of the material in different temperatures was determined by the use of the Arrhenius model. These results provide useful information to better understand phenomena occurring during chemical aging of the filter media and may help to predict the service lifetime of this material in real used conditions.

Keywords: nonwoven membrane, chemical aging, mechanical properties, lifetime, filter media

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Authors: Livia Guerini, Christian Paglia

Abstract:

In Switzerland, only a fraction of plastic waste from food packaging is collected and recycled for further use in the food industry. Therefore, reusing these waste plastics for building applications can be an attractive alternative to disposal in order to reduce the problem of waste management and to make up for the depletion of raw materials needed for construction. In this study, experiments were conducted on the mechanical properties (compressive and flexural strength, elastic modulus), physical properties (density, workability, porosity, and water permeability) and durability (freeze/thaw resistance) of cementitious mortars with additions of recycled low-/high-density polyethylene (LDPE/HDPE)/ polypropylene (PP) regrind (addition of 5% and 10% by weight) and LDPE sheets (addition of 0.5% and 1.5% by weight) coming from food packaging. The results show that as the addition of plastic material increases, the density and mechanical properties of the mortars decrease compared to conventional ones. Porosity is similar in all the mixtures made, while the workability and the permeability are affected not only by the amount added but also by the shape of the plastic aggregate. Freeze/thaw resistance, on the other hand, is significantly higher in mortars with plastic aggregates than in traditional mortar. This feature may be interesting for the realization of outdoor mortars in cold environments.

Keywords: food packaging waste, durability properties, mechanical properties, mortar, recycled PE, recycled PP

Procedia PDF Downloads 139

Authors: Fatemeh Alsadat Miri, Morteza Ehsani, Hossein Ali Khonakdar, Behjat Kavyani

Abstract:

This paper studies the effect of nano glass flakes on morphology, dynamic-mechanical properties, and crystallization behavior of poly (ethylene terephthalate) (PET). The concentration of nano glass flakes was varied from 0.5, 1, 2, and 3% wt of the total formulation. Scanning electron microscopy (SEM) micrographs showed the poor distribution of nano-glass flake particles in PET, as well as low adhesion of particles to the polymer matrix. According to differential scanning calorimetry (DSC), the crystallization rate and crystallization temperature of PET were increased by the addition of nano glass flakes. The crystallization rate of PET was increased from 31.41% to 34.25% by the incorporation of 1%wt of nano glass flakes. Based on the results of the dynamic-mechanical analysis, the storage modulus of PET gets increased by adding nano glass flakes, especially below glass transition temperature (Tg). The glass transition of PET did not change remarkably with the addition of nano glass flakes. Moreover, the use of nano glass flakes reduced the impact strength of PET.

Keywords: PET, nano glass flakes, morphology, crystallization

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Authors: Brahim Safi, Djamila Aboutaleb, Mohammed Saidi, Abdelbaki Benmounah, Fahima Benbrahim

Abstract:

The inorganic wastes are currently used in the manufacture of concretes as mineral additions by cement substitution or as fine/coarse aggregates by replacing traditional aggregates. In this respect, this study aims to valorize the mineral wastes in particular glass wastes to produce granulated foam glass (as fine aggregates). Granulated foam glasses (GFG) were prepared from the glass powder (glass cullet) and foaming agent (limestone) according to applied manufacturing of GFG (at a heat treatment 850 ° C for 20min). After, self-compacting mortars were elaborated with fine aggregate (sand) and other variant mortars with granulated foam glass at volume ratio (0, 30, 50 and 100 %). Rheological characterization tests (fluidity) and physic-mechanical (density, porosity /absorption of water and mechanical tests) were carried out on studied mortars. The results obtained show that a slightly decreasing of compressive strength of mortars having lightness very important for building construction.

Keywords: glass wastes, lightweight aggregate, mortar, fluidity, density, mechanical strength

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Authors: Kristina Ancutiene, Agne Lage, Ada Gulbiniene

Abstract:

Virtual garment fitting has gotten considerable attention for researchers currently. Virtual try-on technologies provide the opportunity to check garment fit using various fabrics and sizes. Differences in fabric mechanical properties produce differences in garment fit. This research aimed to investigate the virtual garment fit concerning the fabric's mechanical properties by determining distance ease between the body and the garment. In this research, virtual women mannequin was covered with straight fit virtual dress stitched in Modaris 3D (CAD Lectra). Garment fitting was investigated using seven cotton/cotton blended plain weave fabrics. Ease allowance value at bust, waist and hip girths in 2D basic patterns was changed uniformly from 0 cm to 8 cm. The values of distance ease in 3D virtual garments at the three main girths were investigated. Distance ease distribution in the virtual garment was investigated also. It was defined that by increasing of 2D patterns ease allowance, 3D garment distance ease changes proportionally but differently using various fabrics. Correlation analysis between 3D garment ease and mechanical properties showed that tensile strain in weft direction had the strongest relation.

Keywords: 3D CAD, distance ease, fabric, garment fit, virtual try-on

Procedia PDF Downloads 173

Authors: Daniel Martin Fellows, Sean P. Walton, Jennifer Thompson, Oubay Hassan, Ella Quigley, Kevin Tinkham

Abstract:

Fire performance is a crucial aspect to consider when designing cladding products, and testing this performance is extremely expensive. Appropriate use of numerical simulation of fire performance has the potential to reduce the total number of fire tests required when designing a product by eliminating poor-performing design ideas early in the design phase. Due to the complexity of fire and the large spectrum of failures it can cause, multi-disciplinary models are needed to capture the complex fire behavior and its structural effects on its surroundings. Working alongside Tata Steel U.K., the authors have focused on completing a coupled CFD-FEA simulation model suited to test Polyisocyanurate (PIR) based sandwich panel products to gain confidence before costly experimental standards testing. The sandwich panels are part of a thermally insulating façade system primarily for large non-domestic buildings. The work presented in this paper compares two coupling methodologies of a replicated physical experimental standards test LPS 1181-1, carried out by Tata Steel U.K. The two coupling methodologies that are considered within this research are; one-way and two-way. A one-way coupled analysis consists of importing thermal data from the CFD solver into the FEA solver. A two-way coupling analysis consists of continuously importing the updated changes in thermal data, due to the fire's behavior, to the FEA solver throughout the simulation. Likewise, the mechanical changes will also be updated back to the CFD solver to include geometric changes within the solution. For CFD calculations, a solver called Fire Dynamic Simulator (FDS) has been chosen due to its adapted numerical scheme to focus solely on fire problems. Validation of FDS applicability has been achieved in past benchmark cases. In addition, an FEA solver called ABAQUS has been chosen to model the structural response to the fire due to its crushable foam plasticity model, which can accurately model the compressibility of PIR foam. An open-source code called FDS-2-ABAQUS is used to couple the two solvers together, using several python modules to complete the process, including failure checks. The coupling methodologies and experimental data acquired from Tata Steel U.K are compared using several variables. The comparison data includes; gas temperatures, surface temperatures, and mechanical deformation of the panels. Conclusions are drawn, noting improvements to be made on the current coupling open-source code FDS-2-ABAQUS to make it more applicable to Tata Steel U.K sandwich panel products. Future directions for reducing the computational cost of the simulation are also considered.

Keywords: fire engineering, numerical coupling, sandwich panels, thermo fluids

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Authors: Jitendra Narayan Panda, Jayashree Bijwe, Raj K. Pandey

Abstract:

PAEK (Polyaryl ether ketone) being a high-performance polymer, is currently being explored for its tribo-potential by incorporating various fibers, solid lubricants. In this work, influence of amount (30 and 40 %) of short glass fibers (GF) in two composites containing PAEK (60 and 50 %) and synthetic graphite (10 %) on mechanical and tribological behaviour was studied. The composites were developed by injection molding and evaluated in adhesive wear mode (pin on disc configuration) against mild steel disc. The load and speed were selected as variable input parameters while coefficient of friction (µ), specific wear rate (K0) and PVlimit (pressure × velocity) values were selected as output parameters for performance evaluation. Although higher amount of GF lead to better mechanical properties, tribological properties were not in tune to this. Overall, µ and K0 for both composites were in the range 0.04-0.08 and 3-8x 10-16 m3/Nm respectively and decreased with increase in applied PV values till failure was observed. PVlimit was indicated by 112 and 100 MPa m/s. Such high PVlimit values are not reported for any polymer composites running in dry conditions in the literature. The mechanical properties of the C40 composite (40 % GF) proved superior to C30 composite (30 % GF). However, all tribological properties of C40 were inferior to C30. It exhibited higher µ, higher K0 and slightly lower PVlimit value. The higher % fibers proved detrimental for tribo-performance and worn surface analysis by SEM & EDAX was done on the discs & pins to understand wear mechanisms.

Keywords: PAEK composites, pin-on-disk, PV limit, friction

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Authors: El Oualid Mokhnache, Noureddine Ramdani

Abstract:

The choice of gun barrel materials is crucial to ensure the maximum high rate of fire. The high rate of fire causes wear-out damage and shuts off mechanical properties (hardness, strength, wear resistance, etc.) and ballistic properties (bullet speed, dispersion and precision, longevity of barrel, etc). To overcome these kinds of problems, a deep understanding of the effect of the firing cycle on the mechanical and ballistic properties of the barrel is regarded as crucial to improving its characteristics. In the present work, a real experimental test of firing by using a high steel barrel with 7.62x39 ammunition was carried. Microstructural observations by using SEM were investigated. Hardness evolution through the barrel of both barrels labeled as reference barrels and as fired barrels were compared and discussed. Ballistic properties during the firing test, including speed of projectile and precision dispersion, are revealed and discussed as well. The aim of the present communication is about to discuss the relationship between pressure distribution versus mechanical properties through the wall barrel. Ballistic properties, including speed of the projectile, dispersion, and precision results during the shooting process, were investigated. Microstructure observations of the as-rifled barrel in comparison with the as-reference barrel were performed as well.

Keywords: barrel, ballistic, pressure, microstructure evolution, hardness

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Authors: David C. Ni

Abstract:

Contemporary models for N-body systems are based on temporal, two-body, and mass point representation of Newtonian mechanics. Other mainstream models include 2D and 3D Ising models based on local neighborhood the lattice structures. In Quantum mechanics, the theories of collective modes are for superconductivity and for the long-range quantum entanglement. However, these models are still mainly for the specific phenomena with a set of designated parameters. We are therefore motivated to develop a new construction directly from the complex-variable N-body systems based on the extended Blaschke functions (EBF), which represent a non-temporal and nonlinear extension of Lorentz transformation on the complex plane – the normalized momentum spaces. A point on the complex plane represents a normalized state of particle momentums observed from a reference frame in the theory of special relativity. There are only two key parameters, normalized momentum and nonlinearity for modelling. An algorithm similar to Jenkins-Traub method is adopted for solving EBF iteratively. Through iteration, the solution sets show a form of σ + i [-t, t], where σ and t are the real numbers, and the [-t, t] shows various distributions, such as 1-peak, 2-peak, and 3-peak etc. distributions and some of them are analog to the canonical distributions. The results of the numerical analysis demonstrate continuum-to-discreteness transitions, evolutional invariance of distributions, phase transitions with conjugate symmetry, etc., which manifest the construction as a potential candidate for the unification of statistics. We hereby classify the observed distributions on the finite convergent domains. Continuous and discrete distributions both exist and are predictable for given partitions in different regions of parameter-pair. We further compare these distributions with canonical distributions and address the impacts on the existing applications.

Keywords: blaschke, lorentz transformation, complex variables, continuous, discrete, canonical, classification

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Authors: Ahmad Abdul-Razzak Aboudi Al-Issa

Abstract:

Thermal is the main important aspect in any hydraulic system since it is affected on the hydraulic system performance. Therefore must be simulated the hydraulic system -that was designed- in this aspect before constructing it. In this study, an existed expert system was using to simulate the thermal aspect of a designed hydraulic system that will be used in an industrial field. The expert system which is used in this study is (Hydraulic System Calculations), and its symbol (HSC). HSC had been designed and coded in an interactive program userfriendly named (Microsoft Visual Basic 2010).

Keywords: fluid power, hydraulic system, thermal and hydrodynamic, expert system

Procedia PDF Downloads 495

Authors: Boor Singh Lalia, Yarjan Abdul Samad, Raed Hashaikeh

Abstract:

Three different kinds of solid polymer electrolytes were prepared using polyethylene oxide (PEO) as a base polymer, networked cellulose (NC) as a physical support and LiClO4 as a conductive salt for the electrolytes. Networked cellulose, a modified form of cellulose, is a biodegradable and environmentally friendly additive which provides a strong fibrous networked support for structural stability of the electrolytes. Although the PEO/NC/LiClO4 electrolyte retains its structural integrity and mechanical properties at 100oC as compared to pristine PEO-based polymer electrolytes, it suffers from poor ionic conductivity. To improve the room temperature conductivity of the electrolyte, PEO is replaced by the polyethylene glycol (PEG) which is a liquid phase that provides high mobility for Li+ ions transport in the electrolyte. PEG/NC/LiClO4 shows improvement in ionic conductivity compared to PEO/NC/LiClO4 at room temperature, but it is brittle and tends to form cracks during processing. An advanced solid polymer electrolyte with optimum ionic conductivity and mechanical properties is developed by using a ternary system: TEGDME/PEO/NC+LiClO4. At room temperature, this electrolyte exhibits an ionic conductivity to the order of 10-5 S/cm, which is very high compared to that of the PEO/LiClO4 electrolyte. Pristine PEO electrolytes start melting at 65 °C and completely lose its mechanical strength. Dynamic mechanical analysis of TEGDME: PEO: NC (70:20:10 wt%) showed an improvement of storage modulus as compared to the pristine PEO in the 60–120 °C temperature range. Also, with an addition of NC, the electrolyte retains its mechanical integrity at 100 oC which is beneficial for Li-ion battery operation at high temperatures. Differential scanning calorimetry (DSC) and thermal gravimetry analysis (TGA) studies revealed that the ternary polymer electrolyte is thermally stable in the lithium ion battery operational temperature range. As-prepared polymer electrolyte was used to assemble LiFePO4/ TEGDME/PEO/NC+LiClO4/Li half cells and their electrochemical performance was studied via cyclic voltammetry and charge-discharge cycling.

Keywords: solid polymer electrolyte, ionic conductivity, mechanical properties, lithium ion batteries, cyclic voltammetry

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Authors: Ghada M. R. Koura, Mohamed N. Mohamed, Ahmed M. F. El Shiwi

Abstract:

Chronic mechanical Low back dysfunction (CMLBD) is the most common problem of the working-age population in modern industrial sociaty; it causes a substantial economic burden due to the wide use of medical services and absence from work. Aim of work: the aim of this study was to investigate the effect of positional release technique on patients with chronic mechanical low back pain. Materials and Methods: Thirty two patients from both sexes were diagnosed with CMLBP, aged 20 to 45 years and were divided randomly into two equal groups; sixteen patients each; group A (control group) received therapeutic exercises that include (Stretch and Strength exercises for back and abdominal muscles). Group B (experimental group) received therapeutic exercises with positional release technique; treatment was applied 3 days/week for 4 weeks. Pain was measured by Visual Analogue Scale, Lumbar range of motion was measured by Inclinometer and Functional disability was measured by Oswestry disability scale. Measurements were taken at two intervals pre-treatment and post-treatment. Results: Data obtained was analyzed via paired and unpaired t-Test. There were statistical differences between the 2 groups, where the experimental group showed greater improvement than control group. Conclusion: Positional release technique is considered as an effective treatment for reducing pain, functional disability and increasing lumbar range of motion in individuals with chronic mechanical low back pain.

Keywords: chronic mechanical low back pain, traditional physical therapy program, positional release technique, randomized controlled trial

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Authors: Lijuan Li

Abstract:

Nitric oxide (NO) has become a fascinating entity in biological chemistry over the past few years. It is a gaseous lipophilic radical molecule that plays important roles in several physiological and pathophysiological processes in mammals, including activating the immune response, serving as a neurotransmitter, regulating the cardiovascular system, and acting as an endothelium-derived relaxing factor. NO functions in eukaryotes both as a signal molecule at nanomolar concentrations and as a cytotoxic agent at micromolar concentrations. The latter arises from the ability of NO to react readily with a variety of cellular targets leading to thiol S-nitrosation, amino acid N-nitrosation, and nitrosative DNA damage. Nitric oxide can readily bind to metals to give metal-nitrosyl (M-NO) complexes. Some of these species are known to play roles in biological NO storage and transport. These complexes have different biological, photochemical, or spectroscopic properties due to distinctive structural features. These recent discoveries have spawned a great interest in the development of transition metal complexes containing NO, particularly its iron complexes that are central to the role of nitric oxide in the body. Spectroscopic evidence would appear to implicate species of “Fe(NO)2+” type in a variety of processes ranging from polymerization, carcinogenesis, to nitric oxide stores. Our research focuses on isolation and structural studies of non-heme iron nitrosyls that mimic biologically active compounds and can potentially be used for anticancer drug therapy. We have shown that reactions between Fe(NO)2(CO)2 and a series of imidazoles generated new non-heme iron nitrosyls of the form Fe(NO)2(L)2 [L = imidazole, 1-methylimidazole, 4-methylimidazole, benzimidazole, 5,6-dimethylbenzimidazole, and L-histidine] and a tetrameric cluster of [Fe(NO)2(L)]4 (L=Im, 4-MeIm, BzIm, and Me2BzIm), resulted from the interactions of Fe(NO)2 with a series of substituted imidazoles was prepared. Recently, a series of sulfur bridged iron di nitrosyl complexes with the general formula of [Fe(µ-RS)(NO)2]2 (R = n-Pr, t-Bu, 6-methyl-2-pyridyl, and 4,6-dimethyl-2-pyrimidyl), were synthesized by the reaction of Fe(NO)2(CO)2 with thiols or thiolates. Their structures and properties were studied by IR, UV-vis, 1H-NMR, EPR, electrochemistry, X-ray diffraction analysis and DFT calculations. IR spectra of these complexes display one weak and two strong NO stretching frequencies (νNO) in solution, but only two strong νNO in solid. DFT calculations suggest that two spatial isomers of these complexes bear 3 Kcal energy difference in solution. The paramagnetic complexes [Fe2(µ-RS)2(NO)4]-, have also been investigated by EPR spectroscopy. Interestingly, the EPR spectra of complexes exhibit an isotropic signal of g = 1.998 - 2.004 without hyperfine splitting. The observations are consistent with the results of calculations, which reveal that the unpaired electron dominantly delocalize over the two sulfur and two iron atoms. The difference of the g values between the reduced form of iron-sulfur clusters and the typical monomeric di nitrosyl iron complexes is explained, for the first time, by of the difference in unpaired electron distributions between the two types of complexes, which provides the theoretical basis for the use of g value as a spectroscopic tool to differentiate these biologically active complexes.

Keywords: di nitrosyl iron complex, metal nitrosyl, non-heme iron, nitric oxide

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Authors: Si-Geun Choi, Hoon-Jae Park, Jung-Woo Cho, Jin-Ho Lim, Jin-Young Park, Joo-Young Oh, Jae-Il Jeong Seock-Sam Kim, Young Tae Cho, Chan Gyu Kim, Jong-Hyoung Kim

Abstract:

The tilting pad bearing is a kind of the fluid film bearing and it can contribute to the high speed and the high load performance compared to other bearings including the rolling element bearing. Furthermore, the tilting bearing has many advantages such as high stability at high-speed performance, long life, high damping, high impact resistance and low noise. Therefore, it mostly used in mid to large size turbomachines, despite the high price disadvantage. Recently, manufacture and process employing laser techniques advancing at a fast-growing rate in mechanical industry, the dissimilar metal weld process employing laser techniques is actively studied. Moreover, also, Industry fields try to apply for welding the white metal and the back metal using laser cladding method for high durability. Furthermore, it has followed that laser cladding method has a lot better bond strength, toughness, anti-abrasion and environment-friendly than centrifugal casting method through preceding research. Therefore, the laser cladding method has a lot better quality, cost reduction, eco-friendliness and permanence of technology than the centrifugal casting method or the gravity casting method. In this study, we compare the mechanical properties of different bearing materials by evaluating the behavior of laser cladding layer with various materials (i.e. SS400, SCM440, S20C) under the same parameters. Furthermore, we analyze the porosity of various tilting pad bearing materials which white metal treated on samples. SEM, EDS analysis and hardness tests of three materials are shown to understand the mechanical properties and tribological behavior. W/D ratio, surface roughness results with various materials are performed in this study.

Keywords: laser cladding, tilting pad bearing, white metal, mechanical properties

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Authors: Fatemeh Sadat Miri, Morteza Ehsani, Seyed Farshid Hosseini

Abstract:

The present research is concerned with the optimization of extrusion parameters of ABS sheets by the Taguchi experimental design method. In this design method, three parameters of % recycling ABS, processing temperature and degassing time on mechanical properties, hardness, HDT, and color matching of ABS sheets were investigated. The variations of this research are the dosage of recycling ABS, processing temperature, and degassing time. According to experimental test data, the highest level of tensile strength and HDT belongs to the sample with 5% recycling ABS, processing temperature of 230°C, and degassing time of 3 hours. Additionally, the minimum level of MFI and color matching belongs to this sample, too. The present results are in good agreement with the Taguchi method. Based on the outcomes of the Taguchi design method, degassing time has the most effect on the mechanical properties of ABS sheets.

Keywords: ABS, process optimization, Taguchi, mechanical properties

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Authors: Jiwuer Jilili, Fabrizio Cossu, Udo Schwingenschlogl

Abstract:

By first-principles calculations we investigate the structural, electronic, and magnetic properties of the (LaMnO3)2/(SrTiO3)2 superlattice. We find that a monoclinic C2h symmetry is energetically favorable and that the spins order ferromagnetically. Under both compressive and tensile uniaxial strain the electronic structure of the superlattice shows a half-metallic character. In particular, a fully spin-polarized two-dimensional electron gas, which traces back to the Ti 3dxy orbitals, is achieved under compressive uniaxial strain.

Keywords: manganite, strain, 2DEG, superlattice

Procedia PDF Downloads 340

Authors: Rachid El Aidani, Phuong Nguyen-Tri, Toan Vu-Khanh

Abstract:

The filter media in synthetic fibre is the most geotextile materials used in aerosol and drainage filtration, particularly for buildings soil reinforcement in civil engineering due to its appropriated properties and its low cost. However, the current understanding of the durability and stability of this material in real service conditions, especially under severe long-term conditions are completely limited. This study has examined the effects of the chemical aging of a filter media in polyester nonwoven under different temperatures (50, 70 and 80˚C) and pH (2. 7 and 12). The effect of aging conditions on mechanical properties, morphology, permeability, thermal stability and molar weigh changes is investigated. The results showed a significant reduction of mechanical properties in term of tensile strength, puncture force and tearing forces of the filter media after chemical aging due to the chemical degradation. The molar mass and mechanical properties changes in different temperature and pH showed a complex dependence of material properties on environmental conditions. The SEM and AFM characterizations showed a significant impact of the thermal aging on the morphological properties of the fibres. Based on the obtained results, the lifetime of the material in different temperatures was determined by the use of the Arrhenius model. These results provide useful information to better understand phenomena occurring during chemical aging of the filter media and may help to predict the service lifetime of this material in real used conditions.

Keywords: nonwoven membrane, chemical aging, mechanical properties, lifetime, filter media

Procedia PDF Downloads 345

Authors: S.I.Mukhin, S. Seidov, A. Mukherjee

Abstract:

The Dicke model is a key tool for the description of correlated states of quantum atomic systems, excited by resonant photon absorption and subsequently emitting spontaneous coherent radiation in the superradiant state. The Dicke Hamiltonian (DH) is successfully used for the description of the dynamics of the Josephson Junction (JJ) array in a resonant cavity under applied current. In this work, we have investigated a generalized model, which is described by DH with a frustrating interaction term. This frustrating interaction term is explicitly the infinite coordinated interaction between all the spin half in the system. In this work, we consider an array of N superconducting islands, each divided into two sub-islands by a Josephson Junction, taken in a charged qubit / Cooper Pair Box (CPB) condition. The array is placed inside the resonant cavity. One important aspect of the problem lies in the dynamical nature of the physical observables involved in the system, such as condensed electric field and dipole moment. It is important to understand how these quantities behave with time to define the quantum phase of the system. The Dicke model without frustrating term is solved to find the dynamical solutions of the physical observables in analytic form. We have used Heisenberg’s dynamical equations for the operators and on applying newly developed Rotating Holstein Primakoff (HP) transformation and DH we have arrived at the four coupled nonlinear dynamical differential equations for the momentum and spin component operators. It is possible to solve the system analytically using two-time scales. The analytical solutions are expressed in terms of Jacobi's elliptic functions for the metastable ‘bound luminosity’ dynamic state with the periodic coherent beating of the dipoles that connect the two double degenerate dipolar ordered phases discovered previously. In this work, we have proceeded the analysis with the extended DH with a frustrating interaction term. Inclusion of the frustrating term involves complexity in the system of differential equations and it gets difficult to solve analytically. We have solved semi-classical dynamic equations using the perturbation technique for small values of Josephson energy EJ. Because the Hamiltonian contains parity symmetry, thus phase transition can be found if this symmetry is broken. Introducing spontaneous symmetry breaking term in the DH, we have derived the solutions which show the occurrence of finite condensate, showing quantum phase transition. Our obtained result matches with the existing results in this scientific field.

Keywords: Dicke Model, nonlinear dynamics, perturbation theory, superconductivity

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Authors: Aasheesh Raturi, Vimal Kothiyal, P. D. Semalty

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We studied mechanical properties of Eucalyptus tereticornis using FT-NIR spectroscopy. Firstly, spectra were pre-processed to eliminate useless information. Then, prediction model was constructed by partial least squares regression. To study the influence of pre-processing on prediction of mechanical properties for NIR analysis of wood samples, we applied various pretreatment methods like straight line subtraction, constant offset elimination, vector-normalization, min-max normalization, multiple scattering. Correction, first derivative, second derivatives and their combination with other treatment such as First derivative + straight line subtraction, First derivative+ vector normalization and First derivative+ multiplicative scattering correction. The data processing methods in combination of preprocessing with different NIR regions, RMSECV, RMSEP and optimum factors/rank were obtained by optimization process of model development. More than 350 combinations were obtained during optimization process. More than one pre-processing method gave good calibration/cross-validation and prediction/test models, but only the best calibration/cross-validation and prediction/test models are reported here. The results show that one can safely use NIR region between 4000 to 7500 cm-1 with straight line subtraction, constant offset elimination, first derivative and second derivative preprocessing method which were found to be most appropriate for models development.

Keywords: FT-NIR, mechanical properties, pre-processing, PLS

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Authors: S. Louhibi-Fasla, H. Rekab Djabri, H. Achour

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The aim of this work is to investigate the structural phase-transitions and electronic properties of copper halides. Our calculations were performed within the PLW extension to the first principle FPLMTO method, which enables an accurate treatment of all kinds of structures including the open ones. Results are given for lattice parameters, bulk modulus and its first derivatives in five different surface phases, and are compared with the available theoretical and experimental data. In the zinc-blende (B3) and PbO (B10) phases, the fundamental gap remains direct with both the top of VB and the bottom of CB located at Γ.

Keywords: FPLMTO, structural properties, Copper halides, phase transitions, ground state phase

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Authors: Qian Zhang, Dongkai Shen, Yan Shi

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A new mechanical ventilator with automatic secretion clearance function can improve the secretion clearance safely and efficiently. However, in recent modeling studies on various mechanical ventilators, it was considered that human had one lung, and the coupling effect of double lungs was never illustrated. In this paper, to expound the coupling effect of double lungs, a mathematical model of a ventilation system of a bi-level positive airway pressure (BiPAP) controlled ventilator with secretion clearance was set up. Moreover, an experimental study about the mechanical ventilation system of double lungs on BiPAP ventilator was conducted to verify the mathematical model. Finally, the coupling effect of double lungs of the mathematical ventilation was studied by simulation and orthogonal experimental design. This paper adds to previous studies and can be referred to optimization methods in medical researches.

Keywords: double lungs, coupling effect, secretion clearance, orthogonal experimental design

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Authors: Davood Niknezhad, Siham Kamali-Bernard

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Concrete durability is one of the most important considerations in the design of new structures in aggressive environments. It is now common knowledge that the transport properties of a concrete, i.e; permeability and chloride diffusion coefficient are important indicators of its durability. The development of microcracking in concrete structures leads to significant permeability and to durability problems as a result. The main objective of the study presented in this paper is to investigate the influence of mineral admixtures and impact of compressive cracks by mechanical uniaxial compression up to 80% of the ultimate strength on transport properties of self-compacting concrete (SCC) manufactured with the eco-materials (metakaolin, fly ash, slag HF). The chloride resistance and binding capacity of the different SCCs produced with the different admixtures in damaged and undamaged state are measured using a chloride migration test accelerated by an external applied electrical field. Intrinsic permeability is measured using the helium gas and one permeameter at constant load. Klinkenberg approach is used for the determination of the intrinsic permeability. Based on the findings of this study, the use of mineral admixtures increases the resistance of SCC to chloride ingress and reduces their permeability. From the impact of mechanical damage, we show that the Gas permeability is more sensitive of concrete damaged than chloride diffusion. A correlation is obtained between the intrinsic permeability and chloride migration coefficient according to the damage variable for the four studied mixtures.

Keywords: SCC, concrete durability, transport properties, gas permeability, chloride diffusion, mechanical damage, mineral admixtures

Procedia PDF Downloads 225

Authors: Desmond Appiah, Fan Zhang, Shouqi Yuan, Wei Xueyuan, Stephen N. Asomani

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The side channel pump has distinctive hydraulic performance characteristics over other vane pumps because of its generation of high pressure heads in only one impeller revolution. Hence, there is soaring utilization and application in the fields of petrochemical, food processing fields, automotive and aerospace fuel pumping where high heads are required at low flows. The side channel pump is characterized by unstable flow because after fluid flows into the impeller passage, it moves into the side channel and comes back to the impeller again and then moves to the next circulation. Consequently, the flow leaves the side channel pump following a helical path. However, the pressure fluctuation exhibited in the flow greatly contributes to the unwanted noise and vibration which is associated with the flow. In this paper, a side channel pump prototype was examined thoroughly through numerical calculations based on SST k-ω turbulence model to ascertain the pressure fluctuation behavior. The pressure fluctuation intensity of the 3D unstable flow dynamics were carefully investigated under different working conditions 0.8QBEP, 1.0 QBEP and 1.2QBEP. The results showed that the pressure fluctuation distribution around the pressure side of the blade is greater than the suction side at the impeller and side channel interface (z=0) for all three operating conditions. Part-load condition 0.8QBEP recorded the highest pressure fluctuation distribution because of the high circulation velocity thus causing an intense exchanged flow between the impeller and side channel. Time and frequency domains spectra of the pressure fluctuation patterns in the impeller and the side channel were also analyzed under the best efficiency point value, QBEP using the solution from the numerical calculations. It was observed from the time-domain analysis that the pressure fluctuation characteristics in the impeller flow passage increased steadily until the flow reached the interrupter which separates low-pressure at the inflow from high pressure at the outflow. The pressure fluctuation amplitudes in the frequency domain spectrum at the different monitoring points depicted a gentle decreasing trend of the pressure amplitudes which was common among the operating conditions. The frequency domain also revealed that the main excitation frequencies occurred at 600Hz, 1200Hz, and 1800Hz and continued in the integers of the rotating shaft frequency. Also, the mass flow exchange plots indicated that the side channel pump is characterized with many vortex flows. Operating conditions 0.8QBEP, 1.0 QBEP depicted less and similar vortex flow while 1.2Q recorded many vortex flows around the inflow, middle and outflow regions. The results of the numerical calculations were finally verified experimentally. The performance characteristics curves from the simulated results showed that 0.8QBEP working condition recorded a head increase of 43.03% and efficiency decrease of 6.73% compared to 1.0QBEP. It can be concluded that for industrial applications where the high heads are mostly required, the side channel pump can be designed to operate at part-load conditions. This paper can serve as a source of information in order to optimize a reliable performance and widen the applications of the side channel pumps.

Keywords: exchanged flow, pressure fluctuation, numerical simulation, side channel pump

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Authors: Abdulrahman T. Essa, Ahmed Aied, Omar Hamid, Felicity R. A. J. Rose, Kevin M. Shakesheff

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Biodegradable poly(ester amide)s are promising polymers for biomedical applications such as drug delivery and tissue engineering because of their optimized chemical and physical properties. In this study, we developed a biodegradable polyester amide elastomer poly(serinol sebacate) (PSS) composed of crosslinked networks based on serinol and sebacic acid. The synthesized polymers were characterized to evaluate their chemical structures, mechanical properties, degradation behaviors and in vitro cytocompatibility. Analysis of proton nuclear magnetic resonance and Fourier transform infrared spectroscopy revealed the structure of the polymer. The PSS exhibit excellent solubility in a variety of solvents such as methanol, dimethyl sulfoxide and dimethylformamide. More importantly, the mechanical properties of PSS could be tuned by changing the curing conditions. In addition, the 3T3 fibroblast cells cultured on the PSS demonstrated good cell attachment and high viability.

Keywords: biodegradable, biomaterial, elastomer, mechanical properties, poly(serinol sebacate)

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Authors: Brahim Safi, Mohammed Saidi, A. Benmounah, Jozef Mitterpach

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The aim of this work is to study the rheological and physico-mechanical properties of a self-compacting concrete elaborated with sea shells as an addition cementitious (total replacement of limestone fillers) and sand (partial and total substitution fine aggregate). Also, this present study is registered in the context of sustainable development by using this waste type which caused environmental problems. After preparation the crushed shells (obtaining fine aggregate) and finely crushed shells (obtaining end powder), concretes were manufactured using these two products. Rheological characterization tests (fluidity, filling capacity and segregation) and physico-mechanical properties (density and strength) were carried on these concretes. The results obtained show that it can be used as fin addition (by total replacement of limestone) or also used as sand by total substitution of natural sand.

Keywords: seashells, limestone, sand, self-compacting concrete, fluidity, compressive strength, flexural strength

Procedia PDF Downloads 271

Authors: Diana Gomez-Cano, J. C. Ochoa-Botero, Roberto Bernal Correa, Yhan Paul Arias

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To obtain high mechanical performance, the fresh conditions of a mortar are decisive. Measuring the absorption of aggregates used in mortar mixes is a fundamental requirement for proper design of the mixes prior to their placement in construction sites. In this sense, absorption is a determining factor in the design of a mix because it conditions the amount of water, which in turn affects the water/cement ratio and the final porosity of the mortar. Thus, this work focuses on the mechanical behavior of recycled mortars manufactured from moisture correction using the Thermogravimetric Balancing Halogen Light (TBHL) technique in comparison with the traditional ASTM C 128 International Standard method. The advantages of using the TBHL technique are favorable in terms of reduced consumption of resources such as materials, energy, and time. The results show that in contrast to the ASTM C 128 method, the TBHL alternative technique allows obtaining a higher precision in the absorption values of recycled aggregates, which is reflected not only in a more efficient process in terms of sustainability in the characterization of construction materials but also in an effect on the mechanical performance of recycled mortars.

Keywords: alternative raw materials, halogen light, recycled mortar, resources optimization, water absorption

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Authors: Nayla El-Kork, Farah Korjieh, Ahmed Bentiba, Mahmoud Korek

Abstract:

Ab-initio calculations have been performed to investigate the spectroscopic constants for the diatomic compound BeF. Values of the internuclear distance Re, the harmonic frequency ωe, the rotational constants Be, the electronic transition energy with respect to the ground state Te, the eignvalues Ev, the abscissas of the turning points Rmin, Rmax, the rotational constants Bv and the centrifugal distortion constants Dv have been calculated for the molecule’s ground and excited electronic states. Results are in agreement with experimental data.

Keywords: spectroscopic constant, potential energy curve, diatomic molecule, spectral analysis

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Authors: Martin Mensinger, Marjolaine Pfaffinger, Matthias Haslbeck

Abstract:

The maintenance and expansion of the railway network represents a central task for transport planning in the future. In addition to the ultimate limit states, the aspects of resource conservation and sustainability are increasingly more necessary to include in the basic engineering. Therefore, as part of the AiF research project, ‘Integrated assessment of steel and composite railway bridges in accordance with sustainability criteria’, the entire lifecycle of engineering structures is involved in planning and evaluation, offering a way to optimize the design of steel bridges. In order to reduce the life cycle costs and increase the profitability of steel structures, it is particularly necessary to consider the demands on hanger connections resulting from fatigue. In order for accurate analysis, a number simulations were conducted as part of the research project on a finite element model of a reference bridge, which gives an indication of the internal forces of the individual structural components of a tied arch bridge, depending on the stress incurred by various types of trains. The calculations were carried out on a detailed FE-model, which allows an extraordinarily accurate modeling of the stiffness of all parts of the constructions as it is made up surface elements. The results point to a large impact of the formation of details on fatigue-related changes in stress, on the one hand, and on the other, they could depict construction-specific specifics over the course of adding stress. Comparative calculations with varied axle-stress distribution also provide information about the sensitivity of the results compared to the imposition of stress and axel distribution on the stress-resultant development. The calculated diagrams help to achieve an optimized hanger connection design through improved durability, which helps to reduce the maintenance costs of rail networks and to give practical application notes for the formation of details.

Keywords: fatigue, influence line, life cycle, tied arch bridge

Procedia PDF Downloads 322