Search results for: optical simulation
3926 Modeling and Simulating Productivity Loss Due to Project Changes
Authors: Robert Pellerin, Michel Gamache, Remi Trudeau, Nathalie Perrier
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The context of large engineering projects is particularly favorable to the appearance of engineering changes and contractual modifications. These elements are potential causes for claims. In this paper, we investigate one of the critical components of the claim management process: the calculation of the impacts of changes in terms of losses of productivity due to the need to accelerate some project activities. When project changes are initiated, delays can arise. Indeed, project activities are often executed in fast-tracking in an attempt to respect the completion date. But the acceleration of project execution and the resulting rework can entail important costs as well as induce productivity losses. In the past, numerous methods have been proposed to quantify the duration of delays, the gains achieved by project acceleration, and the loss of productivity. The calculation related to those changes can be divided into two categories: direct cost and indirect cost. The direct cost is easily quantifiable as opposed to indirect costs which are rarely taken into account during the calculation of the cost of an engineering change or contract modification despite several research projects have been made on this subject. However, proposed models have not been accepted by companies yet, nor they have been accepted in court. Those models require extensive data and are often seen as too specific to be used for all projects. These techniques are also ignoring the resource constraints and the interdependencies between the causes of delays and the delays themselves. To resolve this issue, this research proposes a simulation model that mimics how major engineering changes or contract modifications are handled in large construction projects. The model replicates the use of overtime in a reactive scheduling mode in order to simulate the loss of productivity present when a project change occurs. Multiple tests were conducted to compare the results of the proposed simulation model with statistical analysis conducted by other researchers. Different scenarios were also conducted in order to determine the impact the number of activities, the time of occurrence of the change, the availability of resources, and the type of project changes on productivity loss. Our results demonstrate that the number of activities in the project is a critical variable influencing the productivity of a project. When changes occur, the presence of a large number of activities leads to a much lower productivity loss than a small number of activities. The speed of reducing productivity for 30-job projects is about 25 percent faster than the reduction speed for 120-job projects. The moment of occurrence of a change also shows a significant impact on productivity. Indeed, the sooner the change occurs, the lower the productivity of the labor force. The availability of resources also impacts the productivity of a project when a change is implemented. There is a higher loss of productivity when the amount of resources is restricted.Keywords: engineering changes, indirect costs overtime, productivity, scheduling, simulation
Procedia PDF Downloads 2433925 Simulated Mechanical Analysis on Hydroxyapatite Coated Porous Polylactic Acid Scaffold for Bone Grafting
Authors: Ala Abobakr Abdulhafidh Al-Dubai
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Bone loss has risen due to fractures, surgeries, and traumatic injuries. Scientists and engineers have worked over the years to find solutions to heal and accelerate bone regeneration. The bone grafting technique has been utilized, which projects significant improvement in the bone regeneration area. An extensive study is essential on the relation between the mechanical properties of bone scaffolds and the pore size of the scaffolds, as well as the relation between the mechanical properties of bone scaffolds with the development of bioactive coating on the scaffolds. In reducing the cost and time, a mechanical simulation analysis is beneficial to simulate both relations. Therefore, this study highlights the simulated mechanical analyses on three-dimensional (3D) polylactic acid (PLA) scaffolds at two different pore sizes (P: 400 and 600 μm) and two different internals distances of (D: 600 and 900 μm), with and without the presence of hydroxyapatite (HA) coating. The 3D scaffold models were designed using SOLIDWORKS software. The respective material properties were assigned with the fixation of boundary conditions on the meshed 3D models. Two different loads were applied on the PLA scaffolds, including side loads of 200 N and vertical loads of 2 kN. While only vertical loads of 2 kN were applied on the HA coated PLA scaffolds. The PLA scaffold P600D900, which has the largest pore size and maximum internal distance, generated the minimum stress under the applied vertical load. However, that same scaffold became weaker under the applied side load due to the high construction gap between the pores. The development of HA coating on top of the PLA scaffolds induced greater stress generation compared to the non-coated scaffolds which is tailorable for bone implantation. This study concludes that the pore size and the construction of HA coating on bone scaffolds affect the mechanical strength of the bone scaffolds.Keywords: hydroxyapatite coating, bone scaffold, mechanical simulation, three-dimensional (3D), polylactic acid (PLA).
Procedia PDF Downloads 643924 Towards Designing of a Potential New HIV-1 Protease Inhibitor Using Quantitative Structure-Activity Relationship Study in Combination with Molecular Docking and Molecular Dynamics Simulations
Authors: Mouna Baassi, Mohamed Moussaoui, Hatim Soufi, Sanchaita RajkhowaI, Ashwani Sharma, Subrata Sinha, Said Belaaouad
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Human Immunodeficiency Virus type 1 protease (HIV-1 PR) is one of the most challenging targets of antiretroviral therapy used in the treatment of AIDS-infected people. The performance of protease inhibitors (PIs) is limited by the development of protease mutations that can promote resistance to the treatment. The current study was carried out using statistics and bioinformatics tools. A series of thirty-three compounds with known enzymatic inhibitory activities against HIV-1 protease was used in this paper to build a mathematical model relating the structure to the biological activity. These compounds were designed by software; their descriptors were computed using various tools, such as Gaussian, Chem3D, ChemSketch and MarvinSketch. Computational methods generated the best model based on its statistical parameters. The model’s applicability domain (AD) was elaborated. Furthermore, one compound has been proposed as efficient against HIV-1 protease with comparable biological activity to the existing ones; this drug candidate was evaluated using ADMET properties and Lipinski’s rule. Molecular Docking performed on Wild Type and Mutant Type HIV-1 proteases allowed the investigation of the interaction types displayed between the proteases and the ligands, Darunavir (DRV) and the new drug (ND). Molecular dynamics simulation was also used in order to investigate the complexes’ stability, allowing a comparative study of the performance of both ligands (DRV & ND). Our study suggested that the new molecule showed comparable results to that of Darunavir and may be used for further experimental studies. Our study may also be used as a pipeline to search and design new potential inhibitors of HIV-1 proteases.Keywords: QSAR, ADMET properties, molecular docking, molecular dynamics simulation.
Procedia PDF Downloads 453923 Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability, Hyperpolarizability, and HOMO–LUMO Analysis of Monomeric and Dimeric Structures of N-(2-Methylphenyl)-2-Nitrobenzenesulfonamide
Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui
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The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method show good agreement with xperimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. the intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide
Procedia PDF Downloads 5523922 Opto-Electronic Study of the Silicon Nitride Doped Cerium Thin Films Deposed by Evaporation
Authors: Bekhedda Kheira
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Rare earth-doped luminescent materials (Ce, Eu, Yb, Tb, etc.) are now widely used in flat-screen displays, fluorescent lamps, and photovoltaic solar cells. They exhibit several fine emission bands in a spectral range from near UV to infrared when added to inorganic materials. This study chose cerium oxide (CeO2) because of its exceptional intrinsic properties, energy levels, and ease of implementation of doped layer synthesis. In this study, thin films were obtained by the evaporation deposition technique of cerium oxide (CeO2) on silicon Nitride (SiNx) layers and then annealing under nitrogen N2. The characterization of these films was carried out by different techniques, scanning electron microscopy (SEM) to visualize morphological properties and (EDS) was used to determine the elemental composition of individual dots, optical analysis characterization of thin films was studied by a spectrophotometer in reflectance mode to determine different energies gap of the nanostructured layers and to adjust these values for the photovoltaic application.Keywords: thin films, photovoltaic, rare earth, evaporation
Procedia PDF Downloads 943921 Plasma Ion Implantation Study: A Comparison between Tungsten and Tantalum as Plasma Facing Components
Authors: Tahreem Yousaf, Michael P. Bradley, Jerzy A. Szpunar
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Currently, nuclear fusion is considered one of the most favorable options for future energy generation, due both to its abundant fuel and lack of emissions. For fusion power reactors, a major problem will be a suitable material choice for the Plasma Facing Components (PFCs) which will constitute the reactor first wall. Tungsten (W) has advantages as a PFC material because of its high melting point, low vapour pressure, high thermal conductivity and low retention of hydrogen isotopes. However, several adverse effects such as embrittlement, melting and morphological evolution have been observed in W when it is bombarded by low-energy and high-fluence helium (He) and deuterium (D) ions, as a simulation conditions adjacent to a fusion plasma. Recently, tantalum (Ta) also investigate as PFC and show better reluctance to nanostructure fuzz as compared to W under simulated fusion plasma conditions. But retention of D ions found high in Ta than W. Preparatory to plasma-based ion implantation studies, the effect of D and He ion impact on W and Ta is predicted by using the stopping and range of ions in the matter (SRIM) code. SRIM provided some theoretical results regarding projected range, ion concentration (at. %) and displacement damage (dpa) in W and Ta. The projected range for W under Irradiation of He and D ions with an energy of 3-keV and 1×fluence is determined 75Å and 135 Å and for Ta 85Å and 155Å, respectively. For both W and Ta samples, the maximum implanted peak for helium is predicted ~ 5.3 at. % at 12 nm and for De ions concentration peak is located near 3.1 at. % at 25 nm. For the same parameters, the displacement damage for He ions is observed in W ~ 0.65 dpa and Ta ~ 0.35 dpa at 5 nm. For D ions the displacement damage for W ~ 0.20 dpa at 8 nm and Ta ~ 0.175 dpa at 7 nm. The mean implantation depth is same for W and Ta, i.e. for He ions ~ 40 nm and D ions ~ 70 nm. From these results, we conclude that retention of D is high than He ions, but damage is low for Ta as compared to W. Further investigation still in progress regarding W and T.Keywords: helium and deuterium ion impact, plasma facing components, SRIM simulation, tungsten, tantalum
Procedia PDF Downloads 1353920 Synthesis, Spectroscopic and XRD Study of Transition Metal Complex Derived from Low-Schiff Acyl-Hydrazone Ligand
Authors: Mohamedou El Boukhary, Farba Bouyagui Tamboura, A. Hamady Barry, T. Moussa Seck, Mohamed L. Gaye
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Nowadays, low-schiff acyl-hydrazone ligands are highly sought after due to their wide applications in various fields of biology, coordination chemistry, and catalysis. They are studied for their antioxidant, antibacterial and antiviral properties. The complexes of transition metals and the lanthanide they derive are well known for their magnetic, optical, and catalytic properties. In this work, we present the synthesis of an acyl-hydrazone (H2L) schiff base and their 3d transition complexes. The ligand (H2L) is characterized by IR, NMR (1H; 13C) spectroscopy. The complexes are characterized by different physic-chemical techniques such as IR, UV-visible, conductivity, measurement of magnetic susceptibility. The study of XRD allowed us to elucidate the crystalline structure of the manganese (Mn) complex. The asymmetric unit of the complex is composed of two molecules of the ligand, one manganese (II) ion, and two coordinate chloride ions; the environment around Mn is described as a pentagonal base bipyramid. In the crystal lattice, the asymmetric unit is bound by hydrogen bonds.Keywords: synthene, acyl-hydrazone, 3D transition metal complex, application
Procedia PDF Downloads 613919 The Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability Hyperpolarizability, and Homo–Lumo Analysis of Monomeric and Dimeric Structures of 2-Chloro-N-(2 Methylphenyl) Benzamide
Authors: N. Khelloul, N. Benhalima, A. Chouaih, F. Hamzaoui
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The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G (d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G (d,p) method shows good agreement with experimental X-ray data. The polarizability and first order hyperpolarizabilty of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that 2-Chloro-N-(2-methylphenyl) benzamide 2 molecule may have nonlinear optical (NLO) comportment with non-zero values.Keywords: DFT, HOMO, LUMO, NLO
Procedia PDF Downloads 3443918 The Direct Deconvolutional Model in the Large-Eddy Simulation of Turbulence
Authors: Ning Chang, Zelong Yuan, Yunpeng Wang, Jianchun Wang
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The utilization of Large Eddy Simulation (LES) has been extensive in turbulence research. LES concentrates on resolving the significant grid-scale motions while representing smaller scales through subfilter-scale (SFS) models. The deconvolution model, among the available SFS models, has proven successful in LES of engineering and geophysical flows. Nevertheless, the thorough investigation of how sub-filter scale dynamics and filter anisotropy affect SFS modeling accuracy remains lacking. The outcomes of LES are significantly influenced by filter selection and grid anisotropy, factors that have not been adequately addressed in earlier studies. This study examines two crucial aspects of LES: Firstly, the accuracy of direct deconvolution models (DDM) is evaluated concerning sub-filter scale (SFS) dynamics across varying filter-to-grid ratios (FGR) in isotropic turbulence. Various invertible filters are employed, including Gaussian, Helmholtz I and II, Butterworth, Chebyshev I and II, Cauchy, Pao, and rapidly decaying filters. The importance of FGR becomes evident as it plays a critical role in controlling errors for precise SFS stress prediction. When FGR is set to 1, the DDM models struggle to faithfully reconstruct SFS stress due to inadequate resolution of SFS dynamics. Notably, prediction accuracy improves when FGR is set to 2, leading to accurate reconstruction of SFS stress, except for cases involving Helmholtz I and II filters. Remarkably high precision, nearly 100%, is achieved at an FGR of 4 for all DDM models. Furthermore, the study extends to filter anisotropy and its impact on SFS dynamics and LES accuracy. By utilizing the dynamic Smagorinsky model (DSM), dynamic mixed model (DMM), and direct deconvolution model (DDM) with anisotropic filters, aspect ratios (AR) ranging from 1 to 16 are examined in LES filters. The results emphasize the DDM’s proficiency in accurately predicting SFS stresses under highly anisotropic filtering conditions. Notably high correlation coefficients exceeding 90% are observed in the a priori study for the DDM’s reconstructed SFS stresses, surpassing those of the DSM and DMM models. However, these correlations tend to decrease as filter anisotropy increases. In the a posteriori analysis, the DDM model consistently outperforms the DSM and DMM models across various turbulence statistics, including velocity spectra, probability density functions related to vorticity, SFS energy flux, velocity increments, strainrate tensors, and SFS stress. It is evident that as filter anisotropy intensifies, the results of DSM and DMM deteriorate, while the DDM consistently delivers satisfactory outcomes across all filter-anisotropy scenarios. These findings underscore the potential of the DDM framework as a valuable tool for advancing the development of sophisticated SFS models for LES in turbulence research.Keywords: deconvolution model, large eddy simulation, subfilter scale modeling, turbulence
Procedia PDF Downloads 793917 Study of Structural Behavior and Proton Conductivity of Inorganic Gel Paste Electrolyte at Various Phosphorous to Silicon Ratio by Multiscale Modelling
Authors: P. Haldar, P. Ghosh, S. Ghoshdastidar, K. Kargupta
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In polymer electrolyte membrane fuel cells (PEMFC), the membrane electrode assembly (MEA) is consisting of two platinum coated carbon electrodes, sandwiched with one proton conducting phosphoric acid doped polymeric membrane. Due to low mechanical stability, flooding and fuel cell crossover, application of phosphoric acid in polymeric membrane is very critical. Phosphorous and silica based 3D inorganic gel gains the attention in the field of supercapacitors, fuel cells and metal hydrate batteries due to its thermally stable highly proton conductive behavior. Also as a large amount of water molecule and phosphoric acid can easily get trapped in Si-O-Si network cavities, it causes a prevention in the leaching out. In this study, we have performed molecular dynamics (MD) simulation and first principle calculations to understand the structural, electronics and electrochemical and morphological behavior of this inorganic gel at various P to Si ratios. We have used dipole-dipole interactions, H bonding, and van der Waals forces to study the main interactions between the molecules. A 'structure property-performance' mapping is initiated to determine optimum P to Si ratio for best proton conductivity. We have performed the MD simulations at various temperature to understand the temperature dependency on proton conductivity. The observed results will propose a model which fits well with experimental data and other literature values. We have also studied the mechanism behind proton conductivity. And finally we have proposed a structure for the gel paste with optimum P to Si ratio.Keywords: first principle calculation, molecular dynamics simulation, phosphorous and silica based 3D inorganic gel, polymer electrolyte membrane fuel cells, proton conductivity
Procedia PDF Downloads 1323916 A Non-Destructive TeraHertz System and Method for Capsule and Liquid Medicine Identification
Authors: Ke Lin, Steve Wu Qing Yang, Zhang Nan
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The medicine and drugs has in the past been manufactured to the final products and then used laboratory analysis to verify their quality. However the industry needs crucially a monitoring technique for the final batch to batch quality check. The introduction of process analytical technology (PAT) provides an incentive to obtain real-time information about drugs on the production line, with the following optical techniques being considered: near-infrared (NIR) spectroscopy, Raman spectroscopy and imaging, mid-infrared spectroscopy with the use of chemometric techniques to quantify the final product. However, presents problems in that the spectra obtained will consist of many combination and overtone bands of the fundamental vibrations observed, making analysis difficult. In this work, we describe a non-destructive system and method for capsule and liquid medicine identification, more particularly, using terahertz time-domain spectroscopy and/or designed terahertz portable system for identifying different types of medicine in the package of capsule or in liquid medicine bottles. The target medicine can be detected directly, non-destructively and non-invasively.Keywords: terahertz, non-destructive, non-invasive, chemical identification
Procedia PDF Downloads 1353915 Energy Performance Gaps in Residences: An Analysis of the Variables That Cause Energy Gaps and Their Impact
Authors: Amrutha Kishor
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Today, with the rising global warming and depletion of resources every industry is moving toward sustainability and energy efficiency. As part of this movement, it is nowadays obligatory for architects to play their part by creating energy predictions for their designs. But in a lot of cases, these predictions do not reflect the real quantities of energy in newly built buildings when operating. These can be described as ‘Energy Performance Gaps’. This study aims to determine the underlying reasons for these gaps. Seven houses designed by Allan Joyce Architects, UK from 1998 until 2019 were considered for this study. The data from the residents’ energy bills were cross-referenced with the predictions made with the software SefairaPro and from energy reports. Results indicated that the predictions did not match the actual energy usage. An account of how energy was used in these seven houses was made by means of personal interviews. The main factors considered in the study were occupancy patterns, heating systems and usage, lighting profile and usage, and appliances’ profile and usage. The study found that the main reasons for the creation of energy gaps were the discrepancies in occupant usage and patterns of energy consumption that are predicted as opposed to the actual ones. This study is particularly useful for energy-conscious architectural firms to fine-tune the approach to designing houses and analysing their energy performance. As the findings reveal that energy usage in homes varies based on the way residents use the space, it helps deduce the most efficient technological combinations. This information can be used to set guidelines for future policies and regulations related to energy consumption in homes. This study can also be used by the developers of simulation software to understand how architects use their product and drive improvements in its future versions.Keywords: architectural simulation, energy efficient design, energy performance gaps, environmental design
Procedia PDF Downloads 1213914 Investigation on the Changes in the Chemical Composition and Ecological State of Soils Contaminated with Heavy Metals
Authors: Metodi Mladenov
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Heavy metals contamination of soils is a big problem mainly as a result of industrial production. From this point of view, this is of interests the processes for decontamination of soils for crop of production with low content of heavy metals and suitable for consumption from the animals and the peoples. In the current article, there are presented data for established changes in chemical composition and ecological state on soils contaminated from non-ferrous metallurgy manufacturing, for seven years time period. There was done investigation on alteration of pH, conductivity and contain of the next elements: As, Cd, Cu, Cr, Ni, Pb, Zn, Co, Mn and Al. Also, there was done visual observations under the processes of recovery of root-inhabitable soil layer and reforestation. Obtained data show friendly changes for the investigated indicators pH and conductivity and decreasing of content of some form analyzed elements. Visual observations show augmentation of plant cover areas and change in species structure with increase of number of shrubby and wood specimens.Keywords: conductivity, contamination of soils, chemical composition, inductively coupled plasma–optical emission spectrometry, heavy metals, visual observation
Procedia PDF Downloads 1863913 Controlled Synthesis of CdSe Quantum Dots via Microwave-Enhanced Process: A Green Approach for Mass Production
Authors: Delele Worku Ayele, Bing-Joe Hwang
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A method that does not employ hot injection techniques has been developed for the size-tunable synthesis of high-quality CdSe quantum dots (QDs) with a zinc blende structure. In this environmentally benign synthetic route, which uses relatively less toxic precursors, solvents, and capping ligands, CdSe QDs that absorb visible light are obtained. The size of the as-prepared CdSe QDs and, thus, their optical properties can be manipulated by changing the microwave reaction conditions. The QDs are characterized by XRD, TEM, UV-vis, FTIR, time-resolved fluorescence spectroscopy, and fluorescence spectrophotometry. In this approach, the reaction is conducted in open air and at a much lower temperature than in hot injection techniques. The use of microwaves in this process allows for a highly reproducible and effective synthesis protocol that is fully adaptable for mass production and can be easily employed to synthesize a variety of semiconductor QDs with the desired properties. The possible application of the as-prepared CdSe QDs has been also assessed using deposition on TiO2 films.Keywords: average life time, CdSe QDs, microwave (MW), mass production oleic acid, Na2SeSO3
Procedia PDF Downloads 3203912 Preparation and in vitro Characterisation of Chitosan/Hydroxyapatite Injectable Microspheres as Hard Tissue Substitution
Authors: H. Maachou, A. Chagnes, G. Cote
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The present work reports the properties of chitosan/hydroxyapatite (Cs/HA: 100/00, 70/30 and 30/70) composite microspheres obtained by emulsification processing route. The morphology of chitosane microspheres was observed by a scanning electron microscope (SEM) which shows an aggregate of spherical microspheres with a particle size, determined by optical microscope, ranged from 4 to 10 µm. Thereafter, a biomimetic approach was used to study the in vitro biomineralization of these composites. It concerns the composites immersion in simulated body fluid (SBF) for different times. The deposited calcium phosphate was studied using X-ray diffraction analysis (XRD), FTIR spectroscopy and ICP analysis of phosphorus. In fact, the mineral formed on Cs/HA microspheres was a mixture of carbonated HA and β-TCP as showed by FTIR peaks at 1419,5 and 871,8 cm-1 and XRD peak at 29,5°. This formation was induced by the presence of HA in chitosan microspheres. These results are confirmed by SEM micrographs which chow the Ca-P crystals growth in form of cauliflowers. So, these materials are of great interest for bone regeneration applications due to their ability to nucleate calcium phosphates in presence of simulated body fluid (SBF).Keywords: hydroxyapatite, chitosan, microsphere, composite, bone regeneration
Procedia PDF Downloads 3323911 Alternative Robust Estimators for the Shape Parameters of the Burr XII Distribution
Authors: Fatma Zehra Doğru, Olcay Arslan
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In this paper, we propose alternative robust estimators for the shape parameters of the Burr XII distribution. We provide a small simulation study and a real data example to illustrate the performance of the proposed estimators over the ML and the LS estimators.Keywords: burr xii distribution, robust estimator, m-estimator, least squares
Procedia PDF Downloads 4323910 Heteromolecular Structure Formation in Aqueous Solutions of Ethanol, Tetrahydrofuran and Dimethylformamide
Authors: Sh. Gofurov, O. Ismailova, U. Makhmanov, A. Kokhkharov
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The refractometric method has been used to determine optical properties of concentration features of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide at the room temperature. Changes in dielectric permittivity of aqueous solutions of ethanol, tetrahydrofuran and dimethylformamide in a wide range of concentrations (0÷1.0 molar fraction) have been studied using molecular dynamics method. The curves depending on the concentration of experimental data on excess refractive indices and excess dielectric permittivity were compared. It has been shown that stable heteromolecular complexes in binary solutions are formed in the concentration range of 0.3÷0.4 mole fractions. The real and complex part of dielectric permittivity was obtained from dipole-dipole autocorrelation functions of molecules. At the concentrations of C = 0.3 / 0.4 m.f. the heteromolecular structures with hydrogen bonds are formed. This is confirmed by the extremum values of excessive dielectric permittivity and excessive refractive index of aqueous solutions.Keywords: refractometric method, aqueous solution, molecular dynamics, dielectric constant
Procedia PDF Downloads 2653909 Medical Workforce Knowledge of Adrenaline (Epinephrine) Administration in Anaphylaxis in Adults Considerably Improved with Training in an UK Hospital from 2010 to 2017
Authors: Jan C. Droste, Justine Burns, Nithin Narayan
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Introduction: Life-threatening detrimental effects of inappropriate adrenaline (epinephrine) administration, e.g., by giving the wrong dose, in the context of anaphylaxis management is well documented in the medical literature. Half of the fatal anaphylactic reactions in the UK are iatrogenic, and the median time to a cardio-respiratory arrest can be as short as 5 minutes. It is therefore imperative that hospital doctors of all grades have active and accurate knowledge of the correct route, site, and dosage of administration of adrenaline. Given this time constraint and the potential fatal outcome with inappropriate management of anaphylaxis, it is alarming that surveys over the last 15 years have repeatedly shown only a minority of doctors to have accurate knowledge of adrenaline administration as recommended by the UK Resuscitation Council guidelines (2008 updated 2012). This comparison of survey results of the medical workforce over several years in a small NHS District General Hospital was conducted in order to establish the effect of the employment of multiple educational methods regarding adrenaline administration in anaphylaxis in adults. Methods: Between 2010 and 2017, several education methods and tools were used to repeatedly inform the medical workforce (doctors and advanced clinical practitioners) in a single district general hospital regarding the treatment of anaphylaxis in adults. Whilst the senior staff remained largely the same cohort, junior staff had changed fully in every survey. Examples included: (i) Formal teaching -in Grand Rounds; during the junior doctors’ induction process; advanced life support courses (ii) In-situ simulation training performed by the clinical skills simulation team –several ad hoc sessions and one 3-day event in 2017 visiting 16 separate clinical areas performing an acute anaphylaxis scenario using actors- around 100 individuals from multi-disciplinary teams were involved (iii) Hospital-wide distribution of the simulation event via the Trust’s Simulation Newsletter (iv) Laminated algorithms were attached to the 'crash trolleys' (v) A short email 'alert' was sent to all medical staff 3 weeks prior to the survey detailing the emergency treatment of anaphylaxis (vi) In addition, the performance of the surveys themselves represented a teaching opportunity when gaps in knowledge could be addressed. Face to face surveys were carried out in 2010 ('pre-intervention), 2015, and 2017, in the latter two occasions including advanced clinical practitioners (ACP). All surveys consisted of convenience samples. If verbal consent to conduct the survey was obtained, the medical practitioners' answers were recorded immediately on a data collection sheet. Results: There was a sustained improvement in the knowledge of the medical workforce from 2010 to 2017: Answers improved regarding correct drug by 11% (84%, 95%, and 95%); the correct route by 20% (76%, 90%, and 96%); correct site by 40% (43%, 83%, and 83%) and the correct dose by 45% (27%, 54%, and 72%). Overall, knowledge of all components -correct drug, route, site, and dose-improved from 13% in 2010 to 62% in 2017. Conclusion: This survey comparison shows knowledge of the medical workforce regarding adrenaline administration for treatment of anaphylaxis in adults can be considerably improved by employing a variety of educational methods.Keywords: adrenaline, anaphylaxis, epinephrine, medical education, patient safety
Procedia PDF Downloads 1313908 Field-observed Thermal Fractures during Reinjection and Its Numerical Simulation
Authors: Wen Luo, Phil J. Vardon, Anne-Catherine Dieudonne
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One key process that partly controls the success of geothermal projects is fluid reinjection, which benefits in dealing with waste water, maintaining reservoir pressure, and supplying heat-exchange media, etc. Thus, sustaining the injectivity is of great importance for the efficiency and sustainability of geothermal production. However, the injectivity is sensitive to the reinjection process. Field experiences have illustrated that the injectivity can be damaged or improved. In this paper, the focus is on how the injectivity is improved. Since the injection pressure is far below the formation fracture pressure, hydraulic fracturing cannot be the mechanism contributing to the increase in injectivity. Instead, thermal stimulation has been identified as the main contributor to improving the injectivity. For low-enthalpy geothermal reservoirs, which are not fracture-controlled, thermal fracturing, instead of thermal shearing, is expected to be the mechanism for increasing injectivity. In this paper, field data from the sedimentary low-enthalpy geothermal reservoirs in the Netherlands were analysed to show the occurrence of thermal fracturing due to the cooling shock during reinjection. Injection data were collected and compared to show the effects of the thermal fractures on injectivity. Then, a thermo-hydro-mechanical (THM) model for the near field formation was developed and solved by finite element method to simulate the observed thermal fractures. It was then compared with the HM model, decomposed from the THM model, to illustrate the thermal effects on thermal fracturing. Finally, the effects of operational parameters, i.e. injection temperature and pressure, on the changes in injectivity were studied on the basis of the THM model. The field data analysis and simulation results illustrate that the thermal fracturing occurred during reinjection and contributed to the increase in injectivity. The injection temperature was identified as a key parameter that contributes to thermal fracturing.Keywords: injectivity, reinjection, thermal fracturing, thermo-hydro-mechanical model
Procedia PDF Downloads 2203907 Mechanical Performances and Viscoelastic Behaviour of Starch-Grafted-Polypropylene/Kenaf Fibres Composites
Authors: A. Hamma, A. Pegoretti
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The paper focuses on the evaluation of mechanical performances and viscoelastic behaviour of starch-grafted-PP reinforced with kenaf fibres. Investigations were carried out on composites prepared by melt compounding and compression molding. Two aspects have been taken into account, the effects of various fibres loading rates (10, 20 and 30 wt.%) and the fibres aspect ratios (L/D=30 and 160). Good fibres/matrix interaction has been evidenced by SEM observations. However, processing induced variation of fibre length quantified by optical microscopy observations. Tensile modulus and ultimate properties, hardness and tensile impact stress, were found to remarkably increase with fibre loading. Moreover, short term tensile creep tests have proven that kenaf fibres improved considerably the creep stability. Modelling of creep behaviour by a four parameter Burger model was successfully used. An empirical equation involving Halpin-Tsai semi empirical model was also used to predict the elastic modulus of composites.Keywords: mechanical properties, creep, fibres, thermoplastic composites, starch-grafted-PP
Procedia PDF Downloads 2643906 Ethanol Chlorobenzene Dosimetr Usage for Measuring Dose of the Intraoperative Linear Electron Accelerator System
Authors: Mojtaba Barzegar, Alireza Shirazi, Saied Rabi Mahdavi
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Intraoperative radiation therapy (IORT) is an innovative treatment modality that the delivery of a large single dose of radiation to the tumor bed during the surgery. The radiotherapy success depends on the absorbed dose delivered to the tumor. The achievement better accuracy in patient treatment depends upon the measured dose by standard dosimeter such as ionization chamber, but because of the high density of electric charge/pulse produced by the accelerator in the ionization chamber volume, the standard correction factor for ion recombination Ksat calculated with the classic two-voltage method is overestimated so the use of dose/pulse independent dosimeters such as chemical Fricke and ethanol chlorobenzene (ECB) dosimeters have been suggested. Dose measurement is usually calculated and calibrated in the Zmax. Ksat calculated by comparison of ion chamber response and ECB dosimeter at each applicator degree, size, and dose. The relative output factors for IORT applicators have been calculated and compared with experimentally determined values and the results simulated by Monte Carlo software. The absorbed doses have been calculated and measured with statistical uncertainties less than 0.7% and 2.5% consecutively. The relative differences between calculated and measured OF’s were up to 2.5%, for major OF’s the agreement was better. In these conditions, together with the relative absorbed dose calculations, the OF’s could be considered as an indication that the IORT electron beams have been well simulated. These investigations demonstrate the utility of the full Monte Carlo simulation of accelerator head with ECB dosimeter allow us to obtain detailed information of clinical IORT beams.Keywords: intra operative radiotherapy, ethanol chlorobenzene, ksat, output factor, monte carlo simulation
Procedia PDF Downloads 4803905 Detection of Clipped Fragments in Speech Signals
Authors: Sergei Aleinik, Yuri Matveev
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In this paper a novel method for the detection of clipping in speech signals is described. It is shown that the new method has better performance than known clipping detection methods, is easy to implement, and is robust to changes in signal amplitude, size of data, etc. Statistical simulation results are presented.Keywords: clipping, clipped signal, speech signal processing, digital signal processing
Procedia PDF Downloads 3973904 Simulation Of A Renal Phantom Using the MAG 3
Authors: Ati Moncef
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We describe in this paper the results of a phantom of dynamics renal with MAG3. Our phantom consisted of (tow shaped of kidneys, 1 liver). These phantoms were scanned with static and dynamic protocols and compared with clinical data. in a normal conditions we use our phantoms it's possible to acquire a renal images when we can be compared with clinical scintigraphy. In conclusion, Renal phantom also can use in the quality control of a renal scintigraphy.Keywords: Renal scintigraphy, MAG3, Nuclear medicine, Gamma Camera.
Procedia PDF Downloads 4043903 Investigation of Martensitic Transformation Zone at the Crack Tip of NiTi under Mode-I Loading Using Microscopic Image Correlation
Authors: Nima Shafaghi, Gunay Anlaş, C. Can Aydiner
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A realistic understanding of martensitic phase transition under complex stress states is key for accurately describing the mechanical behavior of shape memory alloys (SMAs). Particularly regarding the sharply changing stress fields at the tip of a crack, the size, nature and shape of transformed zones are of great interest. There is significant variation among various analytical models in their predictions of the size and shape of the transformation zone. As the fully transformed region remains inside a very small boundary at the tip of the crack, experimental validation requires microscopic resolution. Here, the crack tip vicinity of NiTi compact tension specimen has been monitored in situ with microscopic image correlation with 20x magnification. With nominal 15 micrometer grains and 0.2 micrometer per pixel optical resolution, the strains at the crack tip are mapped with intra-grain detail. The transformation regions are then deduced using an equivalent strain formulation.Keywords: digital image correlation, fracture, martensitic phase transition, mode I, NiTi, transformation zone
Procedia PDF Downloads 3553902 On the Hirota Bilinearization of Fokas-Lenells Equation to Obtain Bright N-Soliton Solution
Authors: Sagardeep Talukdar, Gautam Kumar Saharia, Riki Dutta, Sudipta Nandy
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In non-linear optics, the Fokas-Lenells equation (FLE) is a well-known integrable equation that describes how ultrashort pulses move across optical fiber. It admits localized wave solutions, just like any other integrable equation. We apply the Hirota bilinearization method to obtain the soliton solution of FLE. The proposed bilinearization makes use of an auxiliary function. We apply the method to FLE with a vanishing boundary condition, that is, to obtain bright soliton. We have obtained bright 1-soliton, 2-soliton solutions and propose the scheme for obtaining N-soliton solution. We have used an additional parameter which is responsible for the shift in the position of the soliton. Further analysis of the 2-soliton solution is done by asymptotic analysis. We discover that the suggested bilinearization approach, which makes use of the auxiliary function, greatly simplifies the process while still producing the desired outcome. We think that the current analysis will be helpful in understanding how FLE is used in nonlinear optics and other areas of physics.Keywords: asymptotic analysis, fokas-lenells equation, hirota bilinearization method, soliton
Procedia PDF Downloads 1283901 The Spectroscopic, Molecular Structure and Electrostatic Potential, Polarizability, Hyperpolarizability, and HOMO–LUMO Analysis of Monomeric and Dimeric Structures of N-(2-Methylphenyl)-2-Nitrobenzenesulfonamide
Authors: A. Didaoui, N. Benhalima, M. Elkeurti, A. Chouaih, F. Hamzaoui
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The monomer and dimer structures of the title molecule have been obtained from density functional theory (DFT) B3LYP method with 6-31G(d,p) as basis set calculations. The optimized geometrical parameters obtained by B3LYP/6-31G(d,p) method show good agreement with experimental X-ray data. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. The intermolecular N–H•••O hydrogen bonds are discussed in dimer structure of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 03 set of quantum chemistry codes. The predicted frontier molecular orbital energies at B3LYP/6-31G(d,p) method set show that charge transfer occurs within the molecule. The frontier molecular orbital calculations clearly show the inverse relationship of HOMO–LUMO gap with the total static hyperpolarizability. The results also show that N-(2-Methylphenyl)-2-nitrobenzenesulfonamide molecule may have nonlinear optical (NLO) comportment with non-zero values.Keywords: DFT, Gaussian 03, NLO, N-(2-Methylphenyl)-2-nitrobenzenesulfonamide, polarizability
Procedia PDF Downloads 3273900 The Impact of Sedimentary Heterogeneity on Oil Recovery in Basin-plain Turbidite: An Outcrop Analogue Simulation Case Study
Authors: Bayonle Abiola Omoniyi
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In turbidite reservoirs with volumetrically significant thin-bedded turbidites (TBTs), thin-pay intervals may be underestimated during calculation of reserve volume due to poor vertical resolution of conventional well logs. This paper demonstrates the strong control of bed-scale sedimentary heterogeneity on oil recovery using six facies distribution scenarios that were generated from outcrop data from the Eocene Itzurun Formation, Basque Basin (northern Spain). The variable net sand volume in these scenarios serves as a primary source of sedimentary heterogeneity impacting sandstone-mudstone ratio, sand and shale geometry and dimensions, lateral and vertical variations in bed thickness, and attribute indices. The attributes provided input parameters for modeling the scenarios. The models are 20-m (65.6 ft) thick. Simulation of the scenarios reveals that oil production is markedly enhanced where degree of sedimentary heterogeneity and resultant permeability contrast are low, as exemplified by Scenarios 1, 2, and 3. In these scenarios, bed architecture encourages better apparent vertical connectivity across intervals of laterally continuous beds. By contrast, low net-to-gross Scenarios 4, 5, and 6, have rapidly declining oil production rates and higher water cut with more oil effectively trapped in low-permeability layers. These scenarios may possess enough lateral connectivity to enable injected water to sweep oil to production well; such sweep is achieved at a cost of high-water production. It is therefore imperative to consider not only net-to-gross threshold but also facies stack pattern and related attribute indices to better understand how to effectively manage water production for optimum oil recovery from basin-plain reservoirs.Keywords: architecture, connectivity, modeling, turbidites
Procedia PDF Downloads 313899 Experimental Study and Numerical Simulation of the Reaction and Flow on the Membrane Wall of Entrained Flow Gasifier
Authors: Jianliang Xu, Zhenghua Dai, Zhongjie Shen, Haifeng Liu, Fuchen Wang
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In an entrained flow gasifier, the combustible components are converted into the gas phase, and the mineral content is converted into ash. Most of the ash particles or droplets are deposited on the refractory or membrane wall and form a slag layer that flows down to the quenching system. The captured particle reaction process and slag flow and phase transformation play an important role in gasifier performance and safe and stable operation. The reaction characteristic of captured char particles on the molten slag had been studied by applied a high-temperature stage microscope. The gasification process of captured chars with CO2 on the slag surface was observed and recorded, compared to the original char gasification. The particle size evolution, heat transfer process are discussed, and the gasification reaction index of the capture char particle are modeled. Molten slag layer promoted the char reactivity from the analysis of reaction index, Coupled with heat transfer analysis, shrinking particle model (SPM) was applied and modified to predict the gasification time at carbon conversion of 0.9, and results showed an agreement with the experimental data. A comprehensive model with gas-particle-slag flow and reaction models was used to model the different industry gasifier. The carbon conversion information in the spatial space and slag layer surface are investigated. The slag flow characteristic, such as slag velocity, molten slag thickness, slag temperature distribution on the membrane wall and refractory brick are discussed.Keywords: char, slag, numerical simulation, gasification, wall reaction, membrane wall
Procedia PDF Downloads 3113898 Electrochemical Corrosion Behavior of New Developed Titanium Alloys in Ringer’s Solution
Authors: Yasser M. Abd-elrhman, Mohamed A. Gepreel, Kiochi Nakamura, Ahmed Abd El-Moneim, Sengo Kobayashi, Mervat M. Ibrahim
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Titanium alloys are known as highly bio compatible metallic materials due to their high strength, low elastic modulus, and high corrosion resistance in biological media. Besides other important material features, the corrosion parameters and corrosion products are responsible for limiting the biological and chemical bio compatibility of metallic materials that produce undesirable reactions in implant-adjacent and/or more distant tissues. Electrochemical corrosion behaviors of novel beta titanium alloys, Ti-4.7Mo-4.5Fe, Ti-3Mo-0.5Fe, and Ti-2Mo-0.5Fe were characterized in naturally aerated Ringer’s solution at room temperature compared with common used biomedical titanium alloy, Ti-6Al-4V. The corrosion resistance of titanium alloys were investigated through open circuit potential (OCP), potentiodynamic polarization measurements and optical microscope (OM). A high corrosion resistance was obtained for all alloys due to the stable passive film formed on their surfaces. The new present alloys are promising metallic biomaterials for the future, owing to their very low elastic modulus and good corrosion resistance capabilities.Keywords: titanium alloys, corrosion resistance, Ringer’s solution, electrochemical corrosion
Procedia PDF Downloads 6633897 Fluid Structure Interaction Study between Ahead and Angled Impact of AGM 88 Missile Entering Relatively High Viscous Fluid for K-Omega Turbulence Model
Authors: Abu Afree Andalib, Rafiur Rahman, Md Mezbah Uddin
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The main objective of this work is to anatomize on the various parameters of AGM 88 missile anatomized using FSI module in Ansys. Computational fluid dynamics is used for the study of fluid flow pattern and fluidic phenomenon such as drag, pressure force, energy dissipation and shockwave distribution in water. Using finite element analysis module of Ansys, structural parameters such as stress and stress density, localization point, deflection, force propagation is determined. Separate analysis on structural parameters is done on Abacus. State of the art coupling module is used for FSI analysis. Fine mesh is considered in every case for better result during simulation according to computational machine power. The result of the above-mentioned parameters is analyzed and compared for two phases using graphical representation. The result of Ansys and Abaqus are also showed. Computational Fluid Dynamics and Finite Element analyses and subsequently the Fluid-Structure Interaction (FSI) technique is being considered. Finite volume method and finite element method are being considered for modelling fluid flow and structural parameters analysis. Feasible boundary conditions are also utilized in the research. Significant change in the interaction and interference pattern while the impact was found. Theoretically as well as according to simulation angled condition was found with higher impact.Keywords: FSI (Fluid Surface Interaction), impact, missile, high viscous fluid, CFD (Computational Fluid Dynamics), FEM (Finite Element Analysis), FVM (Finite Volume Method), fluid flow, fluid pattern, structural analysis, AGM-88, Ansys, Abaqus, meshing, k-omega, turbulence model
Procedia PDF Downloads 469