Search results for: simulation modeling

Authors: Murat Gunduz, Mustafa Ozdemir

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In this research, a framework is to be proposed to model the safety performance in construction sites. Determinants of safety performance are to be defined through extensive literature review and a multidimensional safety performance model is to be developed. In this context, a questionnaire is to be administered to construction companies with sites. The collected data through questionnaires including linguistic terms are then to be defuzzified to get concrete numbers by using fuzzy set theory which provides strong and significant instruments for the measurement of ambiguities and provides the opportunity to meaningfully represent concepts expressed in the natural language. The validity of the proposed safety performance model, relationships between determinants of safety performance are to be analyzed using the structural equation modeling (SEM) which is a highly strong multi variable analysis technique that makes possible the evaluation of latent structures. After validation of the model, a safety performance index assessment tool is to be proposed by the help of software. The proposed safety performance assessment tool will be based on the empirically validated theoretical model.

Keywords: Fuzzy set theory, safety performance assessment, safety index, structural equation modeling (SEM), construction sites

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Authors: Keyvan Ramin

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The geometric nonlinearity of Off-Diagonal Bracing System (ODBS) could be a complementary system to covering and extending the nonlinearity of reinforced concrete material. Finite element modeling is performed for flexural frame, x-braced frame and the ODBS braced frame system at the initial phase. Then the different models are investigated along various analyses. According to the experimental results of flexural and x-braced frame, the verification is done. Analytical assessments are performed in according to three-dimensional finite element modeling. Non-linear static analysis is considered to obtain performance level and seismic behavior, and then the response modification factors calculated from each model’s pushover curve. In the next phase, the evaluation of cracks observed in the finite element models, especially for RC members of all three systems is performed. The finite element assessment is performed on engendered cracks in ODBS braced frame for various time steps. The nonlinear dynamic time history analysis accomplished in different stories models for three records of Elcentro, Naghan, and Tabas earthquake accelerograms. Dynamic analysis is performed after scaling accelerogram on each type of flexural frame, x-braced frame and ODBS braced frame one by one. The base-point on RC frame is considered to investigate proportional displacement under each record. Hysteresis curves are assessed along continuing this study. The equivalent viscous damping for ODBS system is estimated in according to references. Results in each section show the ODBS system has an acceptable seismic behavior and their conclusions have been converged when the ODBS system is utilized in reinforced concrete frame.

Keywords: FEM, seismic behaviour, pushover analysis, geometric nonlinearity, time history analysis, equivalent viscous damping, passive control, crack investigation, hysteresis curve

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Authors: Tumisang Seodigeng, Hilary Rutto

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In this study we investigate the use of a laboratory batch digester to derive kinetic parameters for anaerobic digestion of garden grass and cattle dung. Laboratory experimental data from a 5 liter batch digester operating at mesophilic temperature of 32 C is used to derive parameters for Michaelis-Menten kinetic model. These fitted kinetics are further used to predict the scale-up parameters of a batch digester using DynoChem modeling and scale-up software. The scale-up model results are compared with performance data from 20 liter, 50 liter, and 200 liter batch digesters. Michaelis-Menten kinetic model shows to be a very good and easy to use model for kinetic parameter fitting on DynoChem and can accurately predict scale-up performance of 20 liter and 50 liter batch reactor based on parameters fitted on a 5 liter batch reactor.

Keywords: Biogas, kinetics, DynoChem Scale-up, Michaelis-Menten

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Authors: Yin-Yee Leong, Jack C. Yue, Hsin-Chung Wang

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Human longevity has been experiencing its largest increase since the end of World War II, and modeling the mortality rates is therefore often the focus of many studies. Among all mortality models, the Lee–Carter model is the most popular approach since it is fairly easy to use and has good accuracy in predicting mortality rates (e.g., for Japan and the USA). However, empirical studies from several countries have shown that the age parameters of the Lee–Carter model are not constant in time. Many modifications of the Lee–Carter model have been proposed to deal with this problem, including adding an extra cohort effect and adding another period effect. In this study, we propose a spatial modification and use clusters to explain why the age parameters of the Lee–Carter model are not constant. In spatial analysis, clusters are areas with unusually high or low mortality rates than their neighbors, where the “location” of mortality rates is measured by age and time, that is, a 2-dimensional coordinate. We use a popular cluster detection method—Spatial scan statistics, a local statistical test based on the likelihood ratio test to evaluate where there are locations with mortality rates that cannot be described well by the Lee–Carter model. We first use computer simulation to demonstrate that the cluster effect is a possible source causing the problem of the age parameters not being constant. Next, we show that adding the cluster effect can solve the non-constant problem. We also apply the proposed approach to mortality data from Japan, France, the USA, and Taiwan. The empirical results show that our approach has better-fitting results and smaller mean absolute percentage errors than the Lee–Carter model.

Keywords: mortality improvement, Lee–Carter model, spatial statistics, cluster detection

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Authors: Kourosh Nazarian

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Many of the engineering materials, such as behavioral metals, have at least a certain level of linear behavior. It means that if the stresses are doubled, the deformations would be also doubled. In fact, these materials have linear elastic properties. Soils do not follow this law, for example, when compressed, soils become gradually tighter. On the surface of the ground, the sand can be easily deformed with a finger, but in high compressive stresses, they gain considerable hardness and strength. This is mainly due to the increase in the forces among the separate particles. Creeps also deform the soils under a constant load over time. Clay and peat soils have creep behavior. As a result of this phenomenon, structures constructed on such soils will continue their collapse over time. In this paper, the researchers analyzed and modeled the stresses and creeps in the southern plains of Kerman province in Iran through library-documentary, quantitative and software techniques, and field survey. The results of the modeling showed that these plains experienced severe stresses and had a collapse of about 26 cm in the last 15 years and also creep evidence was discovered in an area with a gradient of 3-6 degrees.

Keywords: Stress, creep, faryab, surface runoff

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Authors: A. M. Halahla, M. H. Baluch, M. K. Rahman, A. H. Al-Gadhib, M. N. Akhtar

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In the present study, 3D simulation of a typical exterior (RC) beam–column joint (BCJ) strengthened with carbon fiber-reinforced plastic (CFRP) sheet are carried out. Numerical investigations are performed using a nonlinear finite element ( FE) analysis by incorporating damage plasticity model (CDP), for material behaviour the concrete response in compression, tension softening were used, linear plastic with isotropic hardening for reinforcing steel, and linear elastic lamina material model for CFRP sheets using the commercial FE software ABAQUS. The numerical models developed in the present study are validated with the results obtained from the experiment under monotonic loading using the hydraulic Jack in displacement control mode. The experimental program includes casting of deficient BCJ loaded to failure load for both un-strengthened and strengthened BCJ. The failure mode, and deformation response of CFRP strengthened and un-strengthened joints and propagation of damage in the components of BCJ are discussed. Finite element simulations are compared with the experimental result and are noted to yield reasonable comparisons. The damage plasticity model was able to capture with good accuracy of the ultimate load and the mode of failure in the beam column joint.

Keywords: reinforced concrete, exterior beam-column joints, concrete damage plasticity model, computational simulation, 3-D finite element model

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Authors: Zhen Peng, Baifeng Wu

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Modern computing technology enters the era of parallel computing with the trend of sustainable and scalable parallelism. Single Instruction Multiple Data (SIMD) is an important way to go along with the trend. It is able to gather more and more computing ability by increasing the number of processor cores without the need of modifying the program. Meanwhile, in the field of scientific computing and engineering design, many computation intensive applications are facing the challenge of increasingly large amount of data. Data parallel computing will be an important way to further improve the performance of these applications. In this paper, we take the accurate collision detection in building information modeling as an example. We demonstrate a model for constructing a data parallel algorithm. According to the model, a complex object is decomposed into the sets of simple objects; collision detection among complex objects is converted into those among simple objects. The resulting algorithm is a typical SIMD algorithm, and its advantages in parallelism and scalability is unparalleled in respect to the traditional algorithms.

Keywords: data parallelism, collision detection, single instruction multiple data, building information modeling, continuous scalability

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Authors: Azzeddine Abdelalim, Fatiha Rogti

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The degradation phenomenon in polymer solar cells (PCSs) has not been clearly explained yet. In fact, there are many causes that show up and influence these cells in a variety of ways. Also, there has been a growing concern over this degradation in the photovoltaic community. One of the main variables deciding PSCs photovoltaic output is defect states. In this research, devices modeling is carried out to analyze the multiple effects of degradation by applying high defect states (HDS) on ideal PSCs, mainly poly(3-hexylthiophene) (P3HT) absorber layer. Besides, a comparative study is conducted between P3HT and other PSCs by a simulation program called Solar Cell Capacitance Simulator (SCAPS). The adjustments to the defect parameters in several absorber layers explain the effect of HDS on the total output properties of PSCs. The performance parameters for HDS, quantum efficiency, and energy band were therefore examined. This research attempts to explain the degradation process of PSCs and the causes of their low efficiency. It was found that the defects often affect PSCs performance, but defect states have a little effect on output when the defect level is less than 1014cm-3, which gives similar performance values with P3HT cells when these defects is about 1019cm-3. The high defect states can cause up to 11% relative reduction in conversion efficiency of ideal P3HT. In the center of the band gap, defect states become more noxious. This approach is for one of the degradation processes potential of PSCs especially that use fullerene derivative acceptors.

Keywords: degradation, high defect states, polymer solar cells, SCAPS-1D

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Authors: Kamonwat Suksumek, Seeronk Prichanont

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Access block refers to the situation where Emergency Department (ED) patients requiring hospital admission spend an unreasonable holding time in an ED because their access to a ward is blocked by the full utilization of the ward’s beds. Not only it delays the proper treatments required by the patients, but access block is also the cause of ED’s overcrowding. Clearly, access block is an inter-departmental problem that needs to be brought to management’s attention. This paper focuses on the analysis of strategies to address the access block problem, both in the operational and intermediate levels. These strategies were analyzed through a simulation model with a real data set from a university hospital in Thailand. The paper suggests suitable variable levels for each strategy so that the management will make the final decisions.

Keywords: access block, emergency department, health system analysis, simulation

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Authors: Pornpote Nusen, Manop Kaewmoracharoen

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In recent years, there was an observable shift in fully developed countries from constructing new buildings to modifying existing buildings. The issue was that although an effective instrument like BIM (Building Information Modeling) was well developed for constructing new buildings, it was not widely used to renovate old buildings. BIM was accepted as an effective means to overcome common managerial problems such as project delay, cost overrun, and poor quality of the project life cycle. It was recently introduced in Thailand and rarely used in a renovation project. Today, in Thailand, BIM is mostly used for creating aesthetic 3D models and quantity takeoff purposes, though it can be an effective tool to use as a project management tool in planning and scheduling. Now the governmental sector in Thailand begins to recognize the uses of using BIM to manage a construction project, but the knowledge about the BIM implementation to governmental construction projects is underdeveloped. Further studies need to be conducted to maximize its advantages for the governmental sector. An educational extra large governmental building of 17,000 square-meters was used in this research. It is currently under construction for a two-year renovation project. BIM models of the building for the exterior and interior areas were created for the whole five floors. Then 4D BIM with combination of 3D BIM plus time was created for planning and scheduling. Three focus groups had been done with executive committee, contractors, and officers of the building to discuss the possibility of usage and usefulness of BIM approach over the traditional process. Several aspects were discussed in the positive sides, especially several foreseen problems, such as the inadequate accessibility of ways, the altered ceiling levels, the impractical construction plan created through a traditional approach, and the lack of constructability information. However, for some parties, the cost of BIM implementation was a concern, though, this study believes, its uses outweigh the cost.

Keywords: building information modeling, extra large building, governmental building renovation, project management, renovation, 4D BIM

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Authors: Seyedeh Pardis Hosseini

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With increased levels of clean and affordable water scarcity crises in many countries, wastewater treatment has been chosen as a viable method to produce freshwater for various consumptions. Even though reverse osmosis dominates the wastewater treatment market, forward osmosis (FO) processes have significant advantages, such as potentially using a renewable and low-grade energy source and improving water quality. FO is an osmotically driven membrane process that uses a high concentrated draw solution and a relatively low concentrated feed solution across a semi-permeable membrane. Among many novel FO membranes that have been introduced over the past decades, polybenzimidazole (PBI) membranes, a class of aromatic heterocyclic-based polymers, have shown high thermal and chemical stability because of their unique chemical structure. However, the studies reviewed indicate that the hydrophilicity of PBI membranes is comparatively low. Hence, there is an urgent need to develop novel FO membranes with modified PBI polymers to promote hydrophilicity. A few studies have been undertaken to improve the PBI hydrophilicity by fabricating mixed matrix polymeric membranes and surface modification. Thereby, in this study, two different sulfonated polybenzimidazole (SPBI) polymers with the same backbone but different functional groups, namely arylsulfonate PBI (PBI-AS) and propylsulfonate PBI (PBI-PS), are introduced as FO membranes and studied via the molecular dynamics (MD) simulation method. The FO simulation box consists of three distinct regions: a saltwater region, a membrane region, and a pure-water region. The pure-water region is situated at the upper part of the simulation box, while the saltwater region, which contains an aqueous salt solution of Na+ and Cl− ions along with water molecules, occupies the lower part of the simulation box. Specifically, the saltwater region includes 710 water molecules and 24 Na+ and 24 Cl− ions, resulting in a combined concentration of 10 weight percent (wt%). The pure-water region comprises 788 water molecules. Both the saltwater and pure-water regions have a density of 1.0 g/cm³. The membrane region, positioned between the saltwater and pure-water regions, is constructed from three types of polymers: PBI, PBI-AS, and PBI-PS, each consisting of three polymer chains with 30 monomers per chain. The structural and thermophysical properties of the polymers, water molecules, and Na+ and Cl− ions were analyzed using the COMPASS forcefield. All simulations were conducted using the BIOVIA Materials Studio 2020 software. By monitoring the variation in the number of water molecules over the simulation time within the saltwater region, the water permeability of the polymer membranes was calculated and subsequently compared. The results indicated that SPBI polymers exhibited higher water permeability compared to PBI polymers. This enhanced permeability can be attributed to the structural and compositional differences between SPBI and PBI polymers, which likely facilitate more efficient water transport through the membrane. Consequently, the adoption of SPBI polymers in the FO process is anticipated to result in significantly improved performance. This improvement could lead to higher water flux rates, better salt rejection, and overall more efficient use of resources in desalination and water purification applications.

Keywords: forward osmosis, molecular dynamics simulation, sulfonated polybenzimidazole, water permeability

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Authors: Ebuwa Osagie, Chet Biliyok, Yeung Hoi

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Regeneration energy requirement and ways to reduce it is the main aim of most CO2 capture researches currently being performed and thus, post-combustion carbon capture (PCC) option is identified to be the most suitable for the natural gas-fired power plants. From current research and development (R&D) activities worldwide, two main areas are being examined in order to reduce the regeneration energy requirement of amine-based PCC, namely: (a) development of new solvents with better overall performance than 30wt% monoethanolamine (MEA) aqueous solution, which is considered as the base-line solvent for solvent-based PCC, (b) Integration of the PCC Plant to the power plant. In scaling-up a PCC pilot plant to the size required for a commercial-scale natural gas-fired power plant, process modelling and simulation is very essential. In this work, an integrated process made up of a 482MWe natural gas-fired power plant, an MEA-based PCC plant which is developed and validated has been modelled and simulated. The PCC plant has four absorber columns and a single stripper column, the modelling and simulation was performed with Aspen Plus® V8.4. The gas turbine, the heat recovery steam generator and the steam cycle were modelled based on a 2010 US DOE report, while the MEA-based PCC plant was modelled as a rate-based process. The scaling of the amine plant was performed using a rate based calculation in preference to the equilibrium based approach for 90% CO2 capture. The power plant was integrated to the PCC plant in three ways: (i) flue gas stream from the power plant which is divided equally into four stream and each stream is fed into one of the four absorbers in the PCC plant. (ii) Steam draw-off from the IP/LP cross-over pipe in the steam cycle of the power plant used to regenerate solvent in the reboiler. (iii) Condensate returns from the reboiler to the power plant. The integration of a PCC plant to the NGCC plant resulted in a reduction of the power plant output by 73.56 MWe and the net efficiency of the integrated system is reduced by 7.3 % point efficiency. A secondary aim of this study is the parametric studies which have been performed to assess the impacts of natural gas on the overall performance of the integrated process and this is achieved through investigation of the capture efficiencies.

Keywords: natural gas-fired, power plant, MEA, CO2 capture, modelling, simulation

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Authors: Soukaina Boutaky, Abdelhak Sahibeddine

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A study was carried out among students who have especially a scientific and technical educational background and who had opportunities to benefit from a program entrepreneurship course of 50 hours; at Higher School of Technology Khenifra, Morocco. This article has as a goal to explain the relationship between entrepreneurial education, entrepreneurial passion and entrepreneurial intention. The authors chose Bandura’s theory of social cognition as a theoretical framework. The modeling methods equation is adopted to analyze the hypotheses by SMART PLS for 188 students. The results show a strong positive relationship between entrepreneurial education and entrepreneurial passion. They also reveal that entrepreneurship education affects entrepreneurial intention through the effect of entrepreneurial passion, particularly among women than men. In addition, this study contributes in a theoretical way to the level of the relationship between entrepreneurial education and entrepreneurial passion, and these results provide educators and public decision-makers with advice on the importance of entrepreneurship training based on emotional traits such as passion; which constitutes a key and essential element to encourage young graduates to choose an entrepreneurial career as an alternative option or to develop entrepreneurial passion among the business leaders of tomorrow.

Keywords: entrepreneurship education, entrepreneurial passion, entrepreneurial intention, equation modeling methods

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Authors: Queen Suraajini Rajendran, Sai Hung Cheung

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Statistical down scaling models are required to connect the global climate model outputs and the local weather variables for climate change impact prediction. For reliable climate change impact studies, the uncertainty associated with the model including natural variability, uncertainty in the climate model(s), down scaling model, model inadequacy and in the predicted results should be quantified appropriately. In this work, a new approach is developed by the authors for statistical classification, statistical down scaling and uncertainty assessment and is applied to Singapore rainfall. It is a robust Bayesian uncertainty analysis methodology and tools based on coupling dependent modeling error with classification and statistical down scaling models in a way that the dependency among modeling errors will impact the results of both classification and statistical down scaling model calibration and uncertainty analysis for future prediction. Singapore data are considered here and the uncertainty and prediction results are obtained. From the results obtained, directions of research for improvement are briefly presented.

Keywords: statistical downscaling, global climate model, climate change, uncertainty

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Authors: Shiran Bord, Assaf Oshri, Matthew W. Carlson, Sihong Liu

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Background: Alcohol-impaired driving (AID) and binge drinking are major health concerns among college students. Although the link between binge drinking and AID is well established, knowledge regarding binge drinking patterns, the factors influencing binge drinking, and the associations between consumption patterns and alcohol-related risk behaviors is lacking. Aims: To examine heterogeneous trajectories of binge drinking during college and tests factors that might predict class membership as well as class membership outcomes. Methods: Data were obtained from a sample of 1,265 college students (Mage = 18.5, SD = .66) as part of the Longitudinal Study of Violence Against Women (N = 1,265; 59.3% female; 69.2% white). Analyses were completed in three stages. First, a growth curve analysis was conducted to identify trajectories of binge drinking over time. Second, growth curve mixture modeling analyses were pursued to assess unobserved growth trajectories of binge drinking without predictors. Lastly, parental drinking variables were added to the model as predictors of class membership, and AID and being a passenger of a drunk driver were added to the model as outcomes. Results: Three binge drinking trajectories were identified: high-convex, medium concave and low-increasing. Parental drinking was associated with being in high-convex and medium-concave classes. Compared to the low-increasing class, the high convex and medium concave classes reported more AID and being a passenger of a drunk driver more frequently. Conclusions: Parental drinking may affect children’s later engagement in AID. Efforts should focus on parents' education regarding the consequences of parental modeling of alcohol consumption.

Keywords: alcohol impaired driving, alcohol consumption, binge drinking, college students, parental modeling

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Authors: Mumtaz Mooncey, Alexander Jolly, Megan Fisher, Kerry Robinson, Robert Lloyd, Dave Fielding

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Introduction: The integration of the WingFactors in-situ simulation programme has transformed the education landscape at the Whittington Health NHS Trust. To date, there have been a total of 90 simulations - 19 aimed at Paediatric trainees, including 2 Child and Adolescent Mental Health (CAMHS) scenarios. The opportunity for joint debriefs provided by clinical faculty and airline pilots, has created a new exciting avenue to explore human factors within psychiatry. Through the use of real clinical environments and primed actors; the benefits of high fidelity simulation, interdisciplinary and interprofessional learning has been highlighted. The use of in-situ simulation within Psychiatry is a newly emerging concept and its success here has been recognised by unanimously positive feedback from participants and acknowledgement through nomination for the Health Service Journal (HSJ) Award (Best Education Programme 2021). Methodology: The first CAMHS simulation featured a collapsed patient in the toilet with a ligature tied around her neck, accompanied by a distressed parent. This required participants to consider:; emergency physical management of the case, alongside helping to contain the mother and maintaining situational awareness when transferring the patient to an appropriate clinical area. The second simulation was based on a 17- year- old girl attempting to leave the ward after presenting with an overdose, posing potential risk to herself. The safe learning environment enabled participants to explore techniques to engage the young person and understand their concerns, and consider the involvement of other members of the multidisciplinary team. The scenarios were followed by an immediate ‘hot’ debrief, combining technical feedback with Human Factors feedback from uniformed airline pilots and clinicians. The importance of psychological safety was paramount, encouraging open and honest contributions from all participants. Key learning points were summarized into written documents and circulated. Findings: The in-situ simulations demonstrated the need for practical changes both in the Emergency Department and on the Paediatric ward. The presence of airline pilots provided a novel way to debrief on Human Factors. The following key themes were identified: -Team-briefing (‘Golden 5 minutes’) - Taking a few moments to establish experience, initial roles and strategies amongst the team can reduce the need for conversations in front of a distressed patient or anxious relative. -Use of checklists / guidelines - Principles associated with checklist usage (control of pace, rigor, team situational awareness), instead of reliance on accurate memory recall when under pressure. -Read-back - Immediate repetition of safety critical instructions (e.g. drug / dosage) to mitigate the risks associated with miscommunication. -Distraction management - Balancing the risk of losing a team member to manage a distressed relative, versus it impacting on the care of the young person. -Task allocation - The value of the implementation of ‘The 5A’s’ (Availability, Address, Allocate, Ask, Advise), for effective task allocation. Conclusion: 100% of participants have requested more simulation training. Involvement of airline pilots has led to a shift in hospital culture, bringing to the forefront the value of Human Factors focused training and multidisciplinary simulation. This has been of significant value in not only physical health, but also mental health simulation.

Keywords: human factors, in-situ simulation, inter-professional, multidisciplinary

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Authors: Prateeksha Mahamallik, Anjali Pal

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In the present study, Co(II)-adsolubilized surfactant modified alumina (SMA) was prepared, and methylene blue (MB) degradation was carried out on Co-SMA surface by visible light photo-Fenton process. The entire reaction proceeded on solid surface as MB was embedded on Co-SMA surface. The reaction followed zero order kinetics. Response surface methodology (RSM) and artificial neural network (ANN) were used for modeling the decolorization of MB by photo-Fenton process as a function of dose of Co-SMA (10, 20 and 30 g/L), initial concentration of MB (10, 20 and 30 mg/L), concentration of H2O2 (174.4, 348.8 and 523.2 mM) and reaction time (30, 45 and 60 min). The prediction capabilities of both the methodologies (RSM and ANN) were compared on the basis of correlation coefficient (R2), root mean square error (RMSE), standard error of prediction (SEP), relative percent deviation (RPD). Due to lower value of RMSE (1.27), SEP (2.06) and RPD (1.17) and higher value of R2 (0.9966), ANN was proved to be more accurate than RSM in order to predict decolorization efficiency.

Keywords: adsolubilization, artificial neural network, methylene blue, photo-fenton process, response surface methodology

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Authors: Yazid Alkraimeen

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Precise prediction of dielectric stresses and high voltages of power transformers require the accurate calculation of frequency-dependent parameters. A lack of accuracy can result in severe damages to transformer windings. Transient conditions is stuided by digital computers, which require the implementation of accurate models. This paper analyzes the computation of frequency-dependent skin and proximity losses included in the transformer winding model, using analytical equations and Finite Element Method (FEM). A modified formula to calculate the proximity and the skin losses is presented. The results of the frequency-dependent parameter calculations are verified using the Finite Element Method. The time-domain transient voltages are obtained using Numerical Inverse Laplace Transform. The results show that the classical formula for proximity losses is overestimating the transient voltages when compared with the results obtained from the modified method on a simple transformer geometry.

Keywords: fast front transients, proximity losses, transformer winding modeling, skin losses

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Authors: Majid Farsadrooh, Mehran Feizi-Dehnayebi

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Serum albumin is the most abundant protein that is present in the circulatory system of a wide variety of organisms. Although it is a significant macromolecule, it can contribute to osmotic blood pressure and also, plays a superior role in drug disposition and efficiency. Molecular docking simulation can improve in silico drug design and discovery procedures to propound a lead compound and develop it from the discovery step to the clinic. In this study, the molecular docking simulation was applied to select a lead molecule through an investigation of the interaction of the two anticancer drugs (Alitretinoin and Abemaciclib) with Human Serum Albumin (HSA). Then, a series of new compounds (a-e) were suggested using lead molecule modification. Density functional theory (DFT) including MEP map and HOMO-LUMO analysis were used for the newly proposed compounds to predict the reactivity zones on the molecules, stability, and chemical reactivity. DFT calculation illustrated that these new compounds were stable. The estimated binding free energy (ΔG) values for a-e compounds were obtained as -5.78, -5.81, -5.95, -5,98, and -6.11 kcal/mol, respectively. Finally, the pharmaceutical properties and toxicity of these new compounds were estimated through OSIRIS DataWarrior software. The results indicated no risk of tumorigenic, irritant, or reproductive effects and mutagenicity for compounds d and e. As a result, compounds d and e, could be selected for further study as potential therapeutic candidates. Moreover, employing molecular docking simulation with the prediction of pharmaceutical properties helps to discover new potential drug compounds.

Keywords: drug design, anticancer, computational studies, DFT analysis

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Authors: Alexander Hedlund, Anna-Karin Stengard, Olof Björkqvist

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A step towards reducing greenhouse gases and energy consumption is to collaborate with the energy system between several industries. This work is based on a case study on integration of pulp and paper mills with a district heating system in Sundsvall, Sweden. Present research shows that it is possible to make a significant reduction in the electricity demand in the mechanical pulping process. However, the profitability of the efficiency measures could be an issue, as the excess steam recovered from the refiners decreases with the electricity consumption. A consequence will be that the fuel demand for steam production will increase. If the fuel price is similar to the electricity price it would reduce the profit of such a project. If the paper mill can be integrated with a district heating system, it is possible to upgrade excess heat from a nearby kraft pulp mill to process steam via the district heating system in order to avoid the additional fuel need. The concept is investigated by using a simulation model describing both the mass and energy balance as well as the operating margin. Three scenarios were analyzed: reference, electricity reduction and energy substitution. The simulation show that the total input to the system is lowest in the Energy substitution scenario. Additionally, in the Energy substitution scenario the steam from the incineration boiler covers not only the steam shortage but also a part of the steam produced using the biofuel boiler, the cooling tower connected to the incineration boiler is no longer needed and the excess heat can cover the whole district heating load during the whole year. The study shows a substantial economic advantage if all stakeholders act together as one system. However, costs and benefits are unequally shared between the actors. This means that there is a need for new business models in order to share the system costs and benefits.

Keywords: energy system, cooperation, simulation method, excess heat, district heating

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Authors: Hina Munir Abbasi

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The current paper examines the relationship and diversification ability of Islamic stock indices /conventional stocks indices and Real Estate Investment Trust (REITs).To represent conditional dependency between stocks and REITs in a more realistic way, new modeling technique, time-varying copula with switching dependence is used. It represents reliance structure more accurately and realistically than a single copula regime as dependence may alter between positive and negative correlation regimes with time. The fluctuating behavior of markets has significant impact on economic variables; especially the downward trend during crisis. Overall addition of Real Estate Investment Trust in stocks portfolio reduces risks and provide better diversification benefit. Results varied depending upon the circumstances of the country. REITs provides better diversification benefits for Islamic Stocks, when both markets are bearish and can provide hedging benefit for conventional stocks portfolio.

Keywords: conventional stocks, real estate investment trust, copula, diversification, risk spillover, safe heaven

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Authors: P. Ahuja, K. S. S. Sai Krishna

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There is a concern over the energy shortage in the modern societies as it is one of the primary necessities. Renewable energy, mainly biomass, is found to be one feasible solution as it is inexhaustible and clean energy source all over the world. Out of various methods, thermo chemical conversion is considered to be the most common and convenient method to extract energy from biomass. The thermo-chemical methods that are employed are gasification, liquefaction and combustion. On gasification biomass yields biogas, on liquefaction biomass yields bio-oil and on combustion biomass yields bio-char. Any attempt to biomass gasification, liquefaction or combustion calls for a good understanding of biomass pyrolysis. So, Irrespective of the method used the first step towards the thermo-chemical treatment of biomass is pyrolysis. Pyrolysis mainly converts the solid mass into liquid with gas and residual char as the byproducts. Liquid is used for the production of heat, power and many other chemicals whereas the gas and char can be used as fuels to generate heat.

Keywords: biomass, fluidisation, pyrolysis, simulation

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Authors: Shreya Thusoo, Karan Modi, Ankit Kumar Jha, Rajesh Kumar

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Since the evolution of computational tools and simulation software, there has been considerable increase in research on Soil Structure Interaction (SSI) to decrease the computational time and increase accuracy in the results. To aid the designer with a proper understanding of the response of structure in different soil types, the presented paper compares the deformation, shear stress, acceleration and other parameters of multi-storey building for a specific input ground motion using Response-spectrum Analysis (RSA) method. The response of all the models of different heights have been compared in different soil types. Finite Element Simulation software, ANSYS, has been used for all the computational purposes. Overall, higher response is observed with SSI, while it increases with decreasing stiffness of soil.

Keywords: soil-structure interaction, response spectrum, analysis, finite element method, multi-storey buildings

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Authors: Marziyeh Khavari

Abstract:

In recent decades, climate change, global warming, and the growing population worldwide face some challenges, such as increasing food consumption and shortage of resources. Assessing how climate change could disturb crops, especially hazelnut production, seems crucial for sustainable agriculture production. For hazelnut cultivation in the mid-warm condition, such as in Iran, here we present an investigation of climate parameters and how much they are effective on fertility and nut production of hazelnut trees. Therefore, the climate change of the northern zones in Iran has investigated (1960-2017) and was reached an uptrend in temperature. Furthermore, the descriptive analysis performed on six cultivars during seven years shows how this small-scale survey could demonstrate the effects of climate change on hazelnut production and stability. Results showed that some climate parameters are more significant on nut production, such as solar radiation, soil temperature, relative humidity, and precipitation. Moreover, some cultivars have produced more stable production, for instance, Negret and Segorbe, while the Mervill de Boliver recorded the most variation during the study. Another aspect that needs to be met is training and predicting an actual model to simulate nut production through a neural network and linear regression simulation. The study developed and estimated the ANN model's generalization capability with different criteria such as RMSE, SSE, and accuracy factors for dependent and independent variables (environmental and yield traits). The models were trained and tested while the accuracy of the model is proper to predict hazelnut production under fluctuations in weather parameters.

Keywords: climate change, neural network, hazelnut, global warming

Procedia PDF Downloads 132

Authors: D. Kabeya Nahum, L. Y. Kabeya Mukeba

Abstract:

In this work, the design of surface defects some support of the anchor rod ball joint. The future adhesion contact was rocking in manufacture machining, for giving by the numerical analysis of a short simple solution of thermo-mechanical coupled problem in process engineering. The analysis of geometrical evaluation and the quasi-static and dynamic states are discussed in kinematic dimensional tolerances onto surfaces of part. Geometric modeling using the finite element method (FEM) in rough part of such phase provides an opportunity to solve the nonlinearity behavior observed by empirical data to improve the discrete functional surfaces. The open question here is to obtain spherical geometry of drain wear with the operation of rolling. The formulation with (1 ± 0.01) mm thickness near the drain wear semi-finishing tool for studying different angles, do not help the professional factor in design cutting metal related vibration, friction and interface solid-solid of part and tool during this physical complex process, with multi-parameters no-defined in Sobolev Spaces. The stochastic approach of cracking, wear and fretting due to the cutting forces face boundary layers small dimensions thickness of the workpiece and the tool in the machining position is predicted neighbor to ‘Yakam Matrix’.

Keywords: FEM, geometry, part, simulation, spherical surface engineering, tool, workpiece

Procedia PDF Downloads 273

Authors: Yi F. Wu, Ai Q. Li, Hao Wang

Abstract:

Taking a novel type of bridge bearings with the diameter being 100mm as an example, the theoretical analysis, the experimental research as well as the numerical simulation of the bearing were conducted. Since the normal compression-shear machines cannot be applied to the small-size bearing, an improved device to test the properties of the bearing was proposed and fabricated. Besides, the simulation of the bearing was conducted on the basis of the explicit finite element software ANSYS/LS-DYNA, and some parameters of the bearing are modified in the finite element model to effectively reduce the computation cost. Results show that all the research methods are capable of revealing the fundamental properties of the small-size bearings, and a combined use of these methods can better catch both the integral properties and the inner detailed mechanical behaviors of the bearing.

Keywords: ANSYS/LS-DYNA, compression shear, contact analysis, explicit algorithm, small-size

Procedia PDF Downloads 180

Authors: Morteza Aien, Masoud Rashidinejad, Mahmud Fotuhi-Firuzabad

Abstract:

As energetic and environmental issues are getting more and more attention all around the world, the penetration of distributed energy resources (DERs) mainly those harvesting renewable energies (REs) ascends with an unprecedented rate. This matter causes more uncertainties to appear in the power system context; ergo, the uncertainty analysis of the system performance is an obligation. The uncertainties of any system can be represented probabilistically or possibilistically. Since sufficient historical data about all the system variables is not available, therefore, they do not have a probability density function (PDF) and must be represented possibilistiacally. When some of system uncertain variables are probabilistic and some are possibilistic, neither the conventional pure probabilistic nor pure possibilistic methods can be implemented. Hence, a combined solution is appealed. The first of this two-paper series formulates a new possibilistic-probabilistic tool for the load flow uncertainty assessment. The proposed methodology is based on the evidence theory and joint propagation of possibilistic and probabilistic uncertainties. This possibilistic- probabilistic formulation is solved in the second companion paper in an uncertain load flow (ULF) study problem.

Keywords: probabilistic uncertainty modeling, possibilistic uncertainty modeling, uncertain load flow, wind turbine generator

Procedia PDF Downloads 562

Authors: Surinder Sood, Debajyoti Mukherjee

Abstract:

Formal verification techniques have become widely popular in pre-silicon verification as an alternate to constrain random simulation based techniques. This paper proposed a novel formal verification-based coverage augmentation technique in verifying complex RTL functional verification faster. The proposed approach relies on augmenting coverage analysis coming from simulation and formal verification. Besides this, the functional qualification framework not only helps in improving the coverage at a faster pace but also aids in maturing and qualifying the formal verification infrastructure. The proposed technique has helped to achieve faster verification sign-off, resulting in faster time-to-market. The design picked had a complex control and data path and had many configurable options to meet multiple specification needs. The flow is generic, and tool independent, thereby leveraging across the projects and design will be much easier

Keywords: COI (cone of influence), coverage, formal verification, fault injection

Procedia PDF Downloads 124

Authors: Phanindra Prasad Thummala, Umran Tezcan Un, Ahmet Ozan Celik

Abstract:

Removal of CO₂ by MEA (monoethanolamine) in structured packing columns depends highly on the gas-liquid interfacial area and film thickness (liquid load). CFD (computational fluid dynamics) is used to find the interfacial area, film thickness and their impact on mass transfer in gas-liquid flow effectively in any column geometry. In general modeling approaches used in CFD derive mass transfer parameters from standard correlations based on penetration or surface renewal theories. In order to avoid the effect of assumptions involved in deriving the correlations and model the mass transfer based solely on fluid properties, state of art approaches like one fluid formulation is useful. In this work, the one fluid formulation was implemented and evaluated for modeling the physical mass transfer of CO₂ by N₂O analogy in OpenFOAM CFD software. N₂O analogy avoids the effect of chemical reactions on absorption and allows studying the amount of CO₂ physical mass transfer possible in a given geometry. The computational domain in the current study was a flat plate with gas and liquid flowing in the countercurrent direction. The effect of operating parameters such as flow rate, the concentration of MEA and angle of inclination on the physical mass transfer is studied in detail. Liquid side mass transfer coefficients obtained by simulations are compared to the correlations available in the literature and it was found that the one fluid formulation was effectively capturing the effects of interface surface instabilities on mass transfer coefficient with higher accuracy. The high mesh refinement near the interface region was found as a limiting reason for utilizing this approach on large-scale simulations. Overall, the one fluid formulation is found more promising for CFD studies involving the CO₂ mass transfer.

Keywords: one fluid formulation, CO₂ absorption, liquid mass transfer coefficient, OpenFOAM, N₂O analogy

Procedia PDF Downloads 220

Authors: Zakir Husain, Deepak Kumar

Abstract:

The harmonics are very harmful within an electrical system and can have serious consequences such as reducing the life of apparatus, stress on cable and equipment etc. This paper cites extensive analytical study of harmonic characteristics of multiphase (six-phase) and three-phase system equipped with two and three level inverters for non-linear loads. Multilevel inverter has elevated voltage capability with voltage limited devices, low harmonic distortion, abridged switching losses. Multiphase technology also pays a promising role in harmonic reduction. Matlab simulation is carried out to compare the advantage of multi-phase over three phase systems equipped with two or three level inverters for non-linear load harmonic reduction. The extensive simulation results are presented based on case studies.

Keywords: fast Fourier transform (FFT), harmonics, inverter, ripples, total harmonic distortion (THD)

Procedia PDF Downloads 552