Search results for: homology modelling

Authors: Vallisree Sivathanu, Kumaraswamidhas Lakshmi Annamalai, Trupti Ranjan Lenka

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We report a tandem solar cell model with Silicon as the bottom cell absorber material and Cu₂BaSn(S, Se)₄(CBTSSe) as absorber material for the top cell. As a first step, the top and bottom cells were modelled and validated by comparison with the experiment. Once the individual cells are validated, then the tandem structure is modelled with Indium Tin Oxide(ITO) as conducting layer between the top and bottom cells. The tandem structure yielded better open circuit voltage and fill factor; however, the efficiency obtained is 7.01%. The top cell and the bottom cells are investigated with the help of electron-hole current density, photogeneration rate, and external quantum efficiency profiles. In order to minimize the various loss mechanisms in the tandem solar cell, the material parameters are optimized within experimentally achievable limits. Initially, the top cell optimization was carried out; then, the bottom cell is optimized for maximizing the light absorption, and upon minimizing the current and photon losses in the tandem structure, the maximum achievable efficiency is predicted to be 19.52%.

Keywords: CBTSSe, silicon, tandem, solar cell, device modeling, current losses, photon losses

Procedia PDF Downloads 117

Authors: A. Benmoussa, M. Bouanini, M. Rebhi

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The mixing and agitation of fluid in stirred tank is one of the most important unit operations for many industries such as chemical, biotechnological, pharmaceutical, petrochemical, cosmetic, and food processing. Therefore, determining the level of mixing and overall behaviour and performance of the mixing tanks are crucial from the product quality and process economics point of views. The most fundamental needs for the analysis of these processes from both a theoretical and industrial perspective is the knowledge of the hydrodynamic behaviour and the flow structure in such tanks. Depending on the purpose of the operation carried out in mixer, the best choice for geometry of the tank and agitator type can vary widely. Initially, a local and global study namely the velocity and power number on a typical agitation system agitated by a mobile-type two-blade straight (d/D=0.5) allowed us to test the reliability of the CFD, the result were compared with those of experimental literature, a very good concordance was observed. The stream function, the velocity profile, the velocity fields and power number are analyzed. It was shown that the hydrodynamics is modified by the curvature of the mobile which plays a key role.

Keywords: agitated tanks, curved blade agitator, laminar flow, CFD modelling

Procedia PDF Downloads 414

Authors: F. S. Alavi, D. Mowla, F. Esmaeilzadeh

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In this paper, the Eclipse 300 simulator was used to perform compositional modeling of gas injection process for enhanced condensate recovery of a real gas condensate well in south of Iran here referred to as SA4. Some experimental data were used to tune the Peng-Robinson equation of state for this case. Different scenarios of gas injection at current reservoir pressure and at abandonment reservoir pressure had been considered with different gas compositions. Methane, carbon dioxide, nitrogen and two other gases with specified compositions were considered as potential gases for injection. According to the obtained results, nitrogen leads to highest pressure maintenance in the reservoir but methane results in highest condensate recovery among the selected injection gases. At low injection rates, condensate recovery percent is strongly affected by gas injection rate but this dependency shifts to zero at high injection rates. Condensate recovery is higher in all cases of injection at current reservoir pressure than injection at abandonment pressure. Using a constant injection rate, increasing the production well bottom hole pressure results in increasing the condensate recovery percent and time of gas breakthrough.

Keywords: gas-condensate reservoir, case-study, compositional modelling, enhanced condensate recovery, gas injection

Procedia PDF Downloads 195

Authors: Eric Kumar, Erica Cochran, Zhiang Zhang, Wei Liang, Ronak Mody

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The objective of this article was to create a modelling framework that exposes the marginal costs of shifting workloads across geographically distributed data-centers. Geographical distribution of internet services helps to optimize their performance for localized end users with lowered communications times and increased availability. However, due to the geographical and temporal effects, the physical embodiments of a service's data center infrastructure can vary greatly. In this work, we first identify that the sources of variances in the physical infrastructure primarily stem from local weather conditions, specific user traffic profiles, energy sources, and the types of IT hardware available at the time of deployment. Second, we create a traffic simulator that indicates the IT load at each data-center in the set as an approximator for user traffic profiles. Third, we implement a framework that quantifies the global level energy demands using building energy models and the traffic profiles. The results of the model provide a time series of energy demands that can be used for further life cycle analysis of internet services.

Keywords: data-centers, energy, life cycle, network simulation

Procedia PDF Downloads 147

Authors: S. Sonkham, U. Pinsopon, W. Chatlatanagulchai

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This paper presents a method of sliding mode control (SMC) designing and developing for the servo system in a dual-stage actuator (DSA) hard disk drive. Mathematical modelling of hard disk drive actuators is obtained, extracted from measuring frequency response of the voice-coil motor (VCM) and PZT micro-actuator separately. Matlab software tools are used for mathematical model estimation and also for controller design and simulation. A model-reference approach for tracking requirement is selected as a proposed technique. The simulation results show that performance of a model-reference SMC controller design in DSA servo control can be satisfied in the tracking error, as well as keeping the positioning of the head within the boundary of +/-5% of track width under the presence of internal and external disturbance. The overall results of model-reference SMC design in DSA are met per requirement specifications and significant reduction in %off track is found when compared to the single-state actuator (SSA).

Keywords: hard disk drive, dual-stage actuator, track following, hdd servo control, sliding mode control, model-reference, tracking control

Procedia PDF Downloads 365

Authors: Nurudeen Oluwasola Lasisi, Abdulkareem Afolabi Ibrahim

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Newcastle disease is an infection of domestic poultry and other bird species with virulent Newcastle disease virus (NDV). In this paper, we study the dynamics of modeling the Newcastle disease virus (NDV) using a novel quarantine-adjusted incidence. We do a comparison of Vaccination, linear incident rate, and novel quarantine adjusted incident rate in the models. The dynamics of the models yield disease free and endemic equilibrium states. The effective reproduction numbers of the models are computed in order to measure the relative impact for the individual bird or combined intervention for effective disease control. We showed the local and global stability of endemic equilibrium states of the models, and we found that stability of endemic equilibrium states of models are globally asymptotically stable if the effective reproduction numbers of the models equations are greater than a unit.

Keywords: effective reproduction number, endemic state, mathematical model, Newcastle disease virus, novel quarantine-adjusted incidence, stability analysis

Procedia PDF Downloads 243

Authors: Sonny Yip Hong Choy

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With the ubiquity of 3D printing technology in the last decade, a wide array of material choices are available for Fused Deposition Modelling (FDM) 3D printing technology. Exploration into creating printable bio-polymers has also seen progress recently in attempts to further the sustainability agenda and circular economy. By tackling waste and pollution via recycling and reusing, food by-products resulting from mass food production may see opportunities for renewed value and alternate applications through 3D printing. To date, many pure polymers, blends, as well as composites have been developed specifically for FDM printing contexts to heighten the physical performance of final printed products. This review article covers general information on various FDM printed polymers and composites while exploring experiments designed to create printable biopolymers made from reused food by-products. The biopolymer-based composites preparation is described in detail, while their advantages and disadvantages are also discussed. In addition, this article shares knowledge and highlights experimentation that aims to achieve acceptable 3D-printed biopolymer composite properties that may address the functional requirements of different application contexts. Furthermore, the article describes a brief overview of the potential applications of such bio-polymers and the future scope in this field.

Keywords: food by-products, bio-polymers, FDM, 3d printing

Procedia PDF Downloads 81

Authors: Aakriti Lohiya

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This study examines the commonly recognised childhood trauma that can have a significant and enduring effect on a person's cognitive and psychological health. The purpose of this study was to look at the intricate interactions that exist between negative self-identity, cognitive distortions, and early trauma. For the study, a sample of (200 women were taken, who were socially active) was gathered. Standardised measures were utilised to evaluate the participants' experiences of childhood trauma, and validated psychological tools were employed to assess negative self-identity and cognitive distortions. The links and predicting correlations between childhood trauma, negative self-identity, and cognitive distortions were investigated using statistical techniques, such as correlation analysis and multiple regression modelling. The results demonstrated that there is no correlation between the degree of early trauma and the emergence of a negative self-identity and cognitive distortions. It examines whether cognitive distortion and events in childhood have any relationship with negative self-identity using various scales. Participants completed the Childhood Trauma Questionnaire, which assessed retrospective accounts of childhood trauma; the Cognitive Distortions Scale, which measured internal attributions and perceptions of controllability; and the attachment style questionnaire, which assessed the attachment attribute of their daily life, which will lead negative. The implications for therapy were also considered.

Keywords: cognitive distortion, therapy, childhood trauma, attachment

Procedia PDF Downloads 80

Authors: Andrew Terhemen Tyowua, Zhibing Zhang, Michael J. Adams

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Water vapor sorption data at a range of temperatures (25–70 °C) have been obtained for starch (corn and wheat) and non-starch (carrageenan and xanthan gum) hydrocolloid particles in the form of a thin slab. The results reveal that the data may be more accurately described by an existing sigmoidal rather than a Fickian model. The sigmoidal model accounts for the initial surface sorption before the onset of bulk diffusion. At relatively small water activities (≤ 0.3), the absorption of the moisture caused the particles to be plasticized, but at greater activity values (> 0.3), anti-plasticization was induced. However, it was found that for the whole range of water activities and temperatures studied, the data could be characterized by a single non-dimensional number, which was termed the non-Fickian diffusion number where τ is the characteristic time of surface sorption, D is the bulk diffusion coefficient and L is the thickness of the layer of particles. The activation energy suggested that the anti-plasticization mechanism was the result of a reduction in the molecular free volume or an increase in crystallinity.

Keywords: anti-plasticization, arrhenius behavior, diffusion coefficient, hygroscopic polymers, moisture migration, non-fickian sigmoidal model

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Authors: Deepak Raj Bhat, Kazushige Hayashi, Yorihiro Tanaka, Shigeru Ogita, Akihiko Wakai

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Slow-moving landslides are one of the major natural disasters in mountainous regions. Therefore, study of the creep displacement behaviour of a landslide and associated geological and geotechnical issues seem important. This study has addressed and evaluated the slow-moving behaviour of landslide using the 2D-FEM based Elasto-viscoplastic constitutive model. To our based knowledge, two new control constitutive parameters were incorporated in the numerical model for the first time to better understand the slow-moving behaviour of a landslide. First, the predicted time histories of horizontal displacement of the landslide are presented and discussed, which may be useful for landslide displacement prediction in the future. Then, the simulation results of deformation pattern and shear strain pattern is presented and discussed. Moreover, the possible failure mechanism along the slip surface of such landslide is discussed based on the simulation results. It is believed that this study will be useful to understand the slow-moving behaviour of landslides, and at the same time, long-term monitoring and management of the landslide disaster will be much easier.

Keywords: numerical simulation, ground water fluctuations, elasto-viscoplastic model, slow-moving behaviour

Procedia PDF Downloads 78

Authors: Aliffaizi Arsat, Nur Ida Fatihah, Che Shalifullizam

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Malaysia is well known as a Muslim country and is quickly becoming a Global Halal-hub of Halal business in promoting Halal food products in both Muslim countries and non-Muslim countries. The objective of this study is to analyse the Muslim consumer purchased behaviour on doubtful Halal packed food by using theory of planned behaviour, to examine the mediating effects between certification, and Muslim consumer purchased behaviour on doubtful Halal packed food. The relevant questionnaires have been distributed in Kuala Selangor. Among the 300 Muslim participants from Kuala Selangor, Selangor, Malaysia, only 107 of them have returned the questionnaire with complete answers. The respondent’s rate was discovered to be at 35.67%. The data have been analysed by using SPSS version 22 and Structural equation modelling Partial Least Square SEM-PLS. There are three dimensions needed to identify Muslim consumer purchased behaviour on doubtful Halal packed food. They are attitude towards behaviour, subjective norm and perceived behavioural. All the results from this study show that the hypothesis has been supported. However, subjective norm had shown that there is a negative relationship towards Muslim consumer purchased behaviour on doubtful Halal packed food.

Keywords: Muslim consumer purchase behaviour, theory planned behaviour, doubtful Halal, certification

Procedia PDF Downloads 341

Authors: Sherry Ann Ganase, Sandra Sookram

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In this paper, the vulnerability level to climate change is analysed using a comprehensive index, consisting of five pillars: human, social, natural, physical, and financial. A structural equation model is also applied to determine the indicators and relationships that exist between the observed environmental changes and the quality of life. Using survey data to model the results, a value of 0.382 is derived as the vulnerability level for San Pedro, where values closer to zero indicates lower vulnerability and values closer to one indicates higher vulnerability. The results showed the social pillar to be most vulnerable, with the indicator ‘participation’ ranked the highest in its cohort. Although, the environmental pillar is ranked as least vulnerable, the indicators ‘hazard’ and ‘biodiversity’ obtained scores closer to 0.4, suggesting that changes in the environment are occurring from natural and anthropogenic activities. These changes can negatively influence the quality of life as illustrated in the structural equation modelling. The study concludes by reporting on the need for collective action and participation by households in lowering vulnerability to ensure sustainable development and livelihood.

Keywords: climate change, participation, San Pedro, structural equation model, vulnerability index

Procedia PDF Downloads 631

Authors: Ganga K. V. Prakhya, V. Karthigeyan

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The paper describes the influences of the fluid and structure interaction in concrete structures that support large oil platforms in the North Sea. The dynamic interaction of the fluid both in 2D and 3D are demonstrated through a Computational Fluid Dynamics analysis in the event of explosion following a gas leak inside of the concrete column. The structural response characteristics of the column in water under dynamic conditions are quite complex involving axial, radial and circumferential modes. Fluid structure interaction (FSI) modelling showed that there are some frequencies of the column in water which are not found for a column in air. For example, it was demonstrated that one of the axial breathing modes can never be simulated without the use of FSI models. The occurrence of a shift in magnitude and time of pressure from explosion following gas leak along the height of the shaft not only excited the modes of vibration involving breathing (axial), bending and squashing (radial) modes but also magnified the forces in the column. FSI models revealed that dynamic effects resulted in dynamic amplification of loads. The results are summarized from a detailed study that was carried out by the first author for the Offshore Safety Division of Health & Safety Executive United Kingdom.

Keywords: concrete, explosion, fluid structure interaction, offshore structures

Procedia PDF Downloads 188

Authors: Polvasut Mahaiamsiri, Piraphong Foosiri

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The purpose of this research is to explore the model of factors affecting decision making to select successor in family business of Thailand. A Structural Equation Model (SEM) was created from relevant theories and researches. Consequently, examine and analyse, the causal relation factors of Succession Plan, Recruitment Process and Strategic Planning, whether they have direct or indirect effects on Decision Making to Select Successor in family business. Units of analysis are selected from the family business, totalling 300 sampling. Population sampling is current owners or CEO from the percentage of six district areas in Thailand with multi-stage sampling. A set of questionnaires is used to collect data. An analysis of structural equation modelling (SEM) technique using AMOS 21 program is conducted to test the hypotheses and confirmatory factor analysis is performed and shows that these variables can be tested. The finding of this study revealed that these factors are separate constructs that combine to determine decision making to select successors.

Keywords: succession plan, family business, recruitment process, strategic planning, decision making to select successor

Procedia PDF Downloads 208

Authors: Karan Gupta

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The floods cause huge loos each year, and their impact gets manifold with the increase of total duration of flood as well as recession time. Moreover, floods have increased in recent years due to climate change in floodplains. In the context of global climate change, the agreement in Paris convention (2015) stated to keep the increase in global average temperature well below 2°C and keep it at the limit of 1.5°C. Thus, this study investigates the impact of increasing temperature on the stage, discharge as well as total flood duration and recession time in the Meghna River basin in Bangladesh. This study considers the 100-year return period flood flows in the Meghna river under the specific warming levels (SWLs) of 1.5°C, 2°C, and 4°C. The results showed that the rate of increase of duration of flood is nearly 50% lesser at ∆T = 1.5°C as compared to ∆T = 2°C, whereas the rate of increase of duration of recession is 75% lower at ∆T = 1.5°C as compared to ∆T = 2°C. Understanding the change of total duration of flood as well as recession time of the flood gives a better insight to effectively plan for flood mitigation measures.

Keywords: flood, climate change, Paris convention, Bangladesh, inundation duration, recession duration

Procedia PDF Downloads 142

Authors: Haziyah Hussin, Syazwan Abdul Samad, Rosnani Jusoh

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This study is aimed towards the automisation of basic patternmaking for traditional clothes for the purpose of mass production using AutoCAD to apply AutoLISP feature under software Hazi Attire. A standard dress form (industrial form) with the size of small (S), medium (M) and large (L) size is measured using full body scanning machine. Later, the pattern for the clothes is designed parametrically based on the measured dress form. Hazi Attire program is used within the framework of AutoCAD to generate the basic pattern of front bodice, back bodice, front skirt, back skirt and sleeve block (sloper). The generation of pattern is based on the parameters inputted by user, whereby in this study, the parameters were determined based on the measured size of dress form. The finalized pattern parameter shows that the pattern fit perfectly on the dress form. Since the pattern is generated almost instantly, these proved that using the AutoLISP programming, the manufacturing lead time for the mass production of the traditional clothes can be decreased.

Keywords: apparel, AutoLISP, Malay traditional clothes, pattern ganeration

Procedia PDF Downloads 256

Authors: Alaa El-Din Rezk

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For organic xenobiotics, sorption to Aldrich humic acid is a key process controlling their mobility, bioavailability, toxicity and fate in the soil. Hydrophobic organic compounds possessing either acid or basic groups can be partially ionized (deprotonated or protonated) within the range of natural soil pH. For neutral and ionogenicxenobiotics including (neutral, acids and bases) sorption coefficients normalized to organic carbon content, Koc, have measured at different pH values. To this end, the batch equilibrium technique has been used, employing SPME combined with GC-MSD as an analytical tool. For most ionogenic compounds, sorption has been affected by both pH and pKa and can be explained through Henderson-Hasselbalch equation. The results demonstrate that when assessing the environmental fate of ionogenic compounds, their pKa and speciation under natural conditions should be taken into account. A new model has developed to predict the relationship between log Koc and pH with full statistical evaluation against other existing predictive models. Neutral solutes have displayed a good fit with the classical model using log Kow as log Koc predictor, whereas acidic and basic compounds have displayed a good fit with the LSER approach and the new proposed model. Measurement limitations of the Batch technique and SPME-GC-MSD have been found with ionic compounds.

Keywords: humic acid, log Koc, pH, pKa, SPME-GCMSD

Procedia PDF Downloads 263

Authors: Hugo Daneluzzo, Christelle Rabbat, Alan Jean-Marie

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Water electrolysis is one of the most advanced technologies for producing hydrogen and can be easily combined with electricity from different sources. Under the influence of electric current, water molecules can be split into oxygen and hydrogen. The production of hydrogen by water electrolysis favors the integration of renewable energy sources into the energy mix by compensating for their intermittence through the storage of the energy produced when production exceeds demand and its release during off-peak production periods. Among the various electrolysis technologies, anion exchange membrane (AEM) electrolyser cells are emerging as a reliable technology for water electrolysis. Modeling and simulation are effective tools to save time, money, and effort during the optimization of operating conditions and the investigation of the design. The modeling and simulation become even more important when dealing with multiphysics dynamic systems. One of those systems is the AEM electrolysis cell involving complex physico-chemical reactions. Once developed, models may be utilized to comprehend the mechanisms to control and detect flaws in the systems. Several modeling methods have been initiated by scientists. These methods can be separated into two main approaches, namely equation-based modeling and graph-based modeling. The former approach is less user-friendly and difficult to update as it is based on ordinary or partial differential equations to represent the systems. However, the latter approach is more user-friendly and allows a clear representation of physical phenomena. In this case, the system is depicted by connecting subsystems, so-called blocks, through ports based on their physical interactions, hence being suitable for multiphysics systems. Among the graphical modelling methods, the bond graph is receiving increasing attention as being domain-independent and relying on the energy exchange between the components of the system. At present, few studies have investigated the modelling of AEM systems. A mathematical model and a bond graph model were used in previous studies to model the electrolysis cell performance. In this study, experimental data from literature were simulated using OpenModelica using bond graphs and mathematical approaches. The polarization curves at different operating conditions obtained by both approaches were compared with experimental ones. It was stated that both models predicted satisfactorily the polarization curves with error margins lower than 2% for equation-based models and lower than 5% for the bond graph model. The activation polarization of hydrogen evolution reactions (HER) and oxygen evolution reactions (OER) were behind the voltage loss in the AEM electrolyzer, whereas ion conduction through the membrane resulted in the ohmic loss. Therefore, highly active electro-catalysts are required for both HER and OER while high-conductivity AEMs are needed for effectively lowering the ohmic losses. The bond graph simulation of the polarisation curve for operating conditions at various temperatures has illustrated that voltage increases with temperature owing to the technology of the membrane. Simulation of the polarisation curve can be tested virtually, hence resulting in reduced cost and time involved due to experimental testing and improved design optimization. Further improvements can be made by implementing the bond graph model in a real power-to-gas-to-power scenario.

Keywords: hydrogen production, anion-exchange membrane, electrolyzer, mathematical modeling, multiphysics modeling

Procedia PDF Downloads 91

Authors: Idris Elfeituri

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In the current study, energy and exergy analysis of a 65 MW steam power plant was carried out. This study investigated the effect of variations of overall conductance of the super heater on the performance of an existing steam power plant located in Derna, Libya. The performance of the power plant was estimated by a mathematical modelling which considers the off-design operating conditions of each component. A fully interactive computer program based on the mass, energy and exergy balance equations has been developed. The maximum exergy destruction has been found in the steam generation unit. A 50% reduction in the design value of overall conductance of the super heater has been achieved, which accordingly decreases the amount of the net electrical power that would be generated by at least 13 MW, as well as the overall plant exergy efficiency by at least 6.4%, and at the same time that would cause an increase of the total exergy destruction by at least 14 MW. The achieved results showed that the super heater design and operating conditions play an important role on the thermodynamics performance and the fuel utilization of the power plant. Moreover, these considerations are very useful in the process of the decision that should be taken at the occasions of deciding whether to replace or renovate the super heater of the power plant.

Keywords: Exergy, Super-heater, Fouling; Steam power plant; Off-design., Fouling;, Super-heater, Steam power plant

Procedia PDF Downloads 333

Authors: Emad Alenany, M. Adel El-Baz

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In this paper, the flow of different classes of patients into a hospital is modelled and analyzed by using the queueing network analyzer (QNA) algorithm and discrete event simulation. Input data for QNA are the rate and variability parameters of the arrival and service times in addition to the number of servers in each facility. Patient flows mostly match real flow for a hospital in Egypt. Based on the analysis of the waiting times, two approaches are suggested for improving performance: Separating patients into service groups, and adopting different service policies for sequencing patients through hospital units. The separation of a specific group of patients, with higher performance target, to be served separately from the rest of patients requiring lower performance target, requires the same capacity while improves performance for the selected group of patients with higher target. Besides, it is shown that adopting the shortest processing time and shortest remaining processing time service policies among other tested policies would results in, respectively, 11.47% and 13.75% reduction in average waiting time relative to first come first served policy.

Keywords: queueing network, discrete-event simulation, health applications, SPT

Procedia PDF Downloads 187

Authors: Ugo Galvanetto, Pirto G. Pavan, Mirco Zaccariotto

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The discipline of Computer-integrated surgery (CIS) will provide equipment able to improve the efficiency of healthcare systems and, which is more important, clinical results. Surgeons and machines will cooperate in new ways that will extend surgeons’ ability to train, plan and carry out surgery. Patient specific CIS of the brain requires several steps: 1 - Fast generation of brain models. Based on image recognition of MR images and equipped with artificial intelligence, image recognition techniques should differentiate among all brain tissues and segment them. After that, automatic mesh generation should create the mathematical model of the brain in which the various tissues (white matter, grey matter, cerebrospinal fluid …) are clearly located in the correct positions. 2 – Reliable and fast simulation of the surgical process. Computational mechanics will be the crucial aspect of the entire procedure. New algorithms will be used to simulate the mechanical behaviour of cutting through cerebral tissues. 3 – Real time provision of visual and haptic feedback A sophisticated human-machine interface based on ergonomics and psychology will provide the feedback to the surgeon. The present work will address in particular point 2. Modelling the cutting of soft tissue in a structure as complex as the human brain is an extremely challenging problem in computational mechanics. The finite element method (FEM), that accurately represents complex geometries and accounts for material and geometrical nonlinearities, is the most used computational tool to simulate the mechanical response of soft tissues. However, the main drawback of FEM lies in the mechanics theory on which it is based, classical continuum Mechanics, which assumes matter is a continuum with no discontinuity. FEM must resort to complex tools such as pre-defined cohesive zones, external phase-field variables, and demanding remeshing techniques to include discontinuities. However, all approaches to equip FEM computational methods with the capability to describe material separation, such as interface elements with cohesive zone models, X-FEM, element erosion, phase-field, have some drawbacks that make them unsuitable for surgery simulation. Interface elements require a-priori knowledge of crack paths. The use of XFEM in 3D is cumbersome. Element erosion does not conserve mass. The Phase Field approach adopts a diffusive crack model instead of describing true tissue separation typical of surgical procedures. Modelling discontinuities, so difficult when using computational approaches based on classical continuum Mechanics, is instead easy for novel computational methods based on Peridynamics (PD). PD is a non-local theory of mechanics formulated with no use of spatial derivatives. Its governing equations are valid at points or surfaces of discontinuity, and it is, therefore especially suited to describe crack propagation and fragmentation problems. Moreover, PD does not require any criterium to decide the direction of crack propagation or the conditions for crack branching or coalescence; in the PD-based computational methods, cracks develop spontaneously in the way which is the most convenient from an energy point of view. Therefore, in PD computational methods, crack propagation in 3D is as easy as it is in 2D, with a remarkable advantage with respect to all other computational techniques.

Keywords: computational mechanics, peridynamics, finite element, biomechanics

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Authors: Lewis Wallace, William Dempster, David Nash, Alexandros Boukis, Craig Maclean

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This paper, through traditional test methods and close adherence to international standards, presents a characterization study of a woven Polyethylene Terephthalate (PET). Testing is undergone in the axial, shear, and out-of-plane (bend) directions, and the results are fitted to the *FABRIC material model with ABAQUS FEA. The non-linear behaviors of the fabric in the axial and shear directions and behaviors on the macro scale are explored at the meso scale level. The medical grade bio-fabric is tested in untreated and heat-treated forms, and deviations are closely analyzed at the micro, meso, and macro scales to determine the effects of the process. The heat-treatment process was found to increase the stiffness of the fabric during axial and bending stiffness testing but had a negligible effect on the shear response. The ability of *FABRIC to capture behaviors unique to fabric deformation is discussed, whereby the unique phenomenological input can accurately represent the experimentally derived inputs.

Keywords: experimental techniques, FEA modelling, materials characterization, post-processing techniques

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Authors: Yusra Abdulsalam Alqamati, Ahmed Alkilany

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The teaching staff is a distinct group whose impact is on the educational process and which plays an important role in enhancing the quality of the academic education process. To improve the management effectiveness of the academy, the Teaching Staff Management System (TSMS) proposes that all teacher processes be digitized. Since the BPMN approach can accurately describe the processes, it lacks a clear picture of the process flow map, something that the process mining approach has, which is extracting information from event logs for discovery, monitoring, and model enhancement. Therefore, these two methodologies were combined to create the most accurate representation of system operations, the ability to extract data records and mining processes, recreate them in the form of a Petri net, and then generate them in a BPMN model for a more in-depth view of process flow. Additionally, the TSMS processes will be orchestrated to handle all requests in a guaranteed small-time manner thanks to the integration of the Google Cloud Platform (GCP), the BPM engine, and allowing business owners to take part throughout the entire TSMS project development lifecycle.

Keywords: process mining, BPM, business process model and notation, Petri net, teaching staff, Google Cloud Platform

Procedia PDF Downloads 141

Authors: X. Wang, T. J. Craft, H. Iacovides

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When handling the near-wall regions of turbulent flows, it is necessary to account for the viscous effects which are important over the thin near-wall layers. Low-Reynolds- number turbulence models do this by including explicit viscous and also damping terms which become active in the near-wall regions, and using very fine near-wall grids to properly resolve the steep gradients present. In order to overcome the cost associated with the low-Re turbulence models, a more advanced wall function approach has been implemented within OpenFoam and tested together with a standard log-law based wall function in the prediction of flows which involve 2-D shock wave/turbulent boundary layer interactions (SWTBLIs). On the whole, from the calculation of the impinging shock interaction, the three turbulence modelling strategies, the Lauder-Sharma k-ε model with Yap correction (LS), the high-Re k-ε model with standard wall function (SWF) and analytical wall function (AWF), display good predictions of wall-pressure. However, the SWF approach tends to underestimate the tendency of the flow to separate as a result of the SWTBLI. The analytical wall function, on the other hand, is able to reproduce the shock-induced flow separation and returns predictions similar to those of the low-Re model, using a much coarser mesh.

Keywords: SWTBLIs, skin-friction, turbulence modeling, wall function

Procedia PDF Downloads 346

Authors: Avichal Malhotra, Jerome Frisch, Christoph van Treeck

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The utilization of semantic, cadastral and topological data from geographic information systems (GIS) has exponentially increased for building and urban-scale energy performance simulations. Urban planners, simulation scientists, and researchers use virtual 3D city models for energy analysis, algorithms and simulation tools. For dynamic energy simulations at city and district level, this paper provides an overview of the available GIS data models and their levels of detail. Adhering to different norms and standards, these models also intend to describe building and construction industry data. For further investigations, CityGML data models are considered for simulations. Though geographical information modelling has considerably many different implementations, extensions of virtual city data can also be made for domain specific applications. Highlighting the use of the extended CityGML models for energy researches, a brief introduction to the Energy Application Domain Extension (ADE) along with its significance is made. Consequently, addressing specific input simulation data, a workflow using Modelica underlining the usage of GIS information and the quantification of its significance over annual heating energy demand is presented in this paper.

Keywords: CityGML, EnergyADE, energy performance simulation, GIS

Procedia PDF Downloads 168

Authors: U. L. Fulco, E. L. Albuquerque, José X. Lima Neto, L. R. Da Silva

Abstract:

The binding of the nonsteroidal anti-inflammatory drug ibuprofen (IBU) to human serum albumin (HSA) is investigated using density functional theory (DFT) calculations within a fragmentation strategy. Crystallographic data for the IBU–HSA supramolecular complex shows that the ligand is confined to a large cavity at the subdomain IIIA and at the interface between the subdomains IIA and IIB, whose binding sites are FA3/FA4 and FA6, respectively. The interaction energy between the IBU molecule and each amino acid residue of these HSA binding pockets was calculated using the Molecular Fractionation with Conjugate Caps (MFCC) approach employing a dispersion corrected exchange–correlation functional. Our investigation shows that the total interaction energy of IBU bound to HSA at binding sites of the fatty acids FA3/FA4 (FA6) converges only for a pocket radius of at least 8.5 °A, mainly due to the action of residues Arg410, Lys414 and Ser489 (Lys351, Ser480 and Leu481) and residues in nonhydrophobic domains, namely Ile388, Phe395, Phe403, Leu407, Leu430, Val433, and Leu453 (Phe206, Ala210, Ala213, and Leu327), which is unusual. Our simulations are valuable for a better understanding of the binding mechanism of IBU to albumin and can lead to the rational design and the development of novel IBU-derived drugs with improved potency.

Keywords: ibuprofen, human serum albumin, density functional theory, binding energies

Procedia PDF Downloads 347

Authors: Mohammad Lemar Zalmai, Mustafa Nabi Kocakaya, Cemil Akcay, Ekrem Manisali

Abstract:

In recent years, the Building Information Modeling (BIM) approach has been developed expeditiously. As people see the benefits of this approach, it has begun to be used widely in construction projects and some countries made it mandatory to get more benefits from it. To promote the implementation of BIM in construction projects, it will be helpful to get some relevant information from surveys and interviews. The purpose of this study is to research the current adoption and implementation of BIM in public projects in Turkey. This study specified the challenges of BIM implementation in Turkey and proposed some solutions to overcome them. In this context, the challenges for BIM implementation and the factors that affect the BIM usage are determined based on previous academic researches and expert opinions by conducting interviews and questionnaire surveys. Several methods are used to process information in order to obtain weights of different factors to make BIM widespread in Turkey. This study concluded interviews' and questionnaire surveys' outcomes and proposed some suggestions to promote the implementation of BIM in Turkey. We believe research findings will be a good reference for boosting BIM implementation in Turkey.

Keywords: building information modelling, BIM implementations, Turkish construction industry, Turkish government sector projects

Procedia PDF Downloads 137

Authors: Seyed-Ahmad Shahidi, Salemeh Kazemzadeh, Mehdi Sharifi Soltani, Azade Ghorbani-HasanSaraei

Abstract:

The kinetics of colour changes of American Pokeweed extract, due to concentration by various heating methods was studied. Three different heating/evaporation processes were employed for production of American Pokeweed extract concentrate. The American Pokeweed extract was concentrated to a final 40 °Brix from an initial °Brix of 4 by microwave heating, rotary vacuum evaporator and evaporating at atmospheric pressure. The final American Pokeweed extract concentration of 40 °Brix was achieved in 188, 216 and 320 min by using microwave, rotary vacuum and atmospheric heating processes, respectively. The colour change during concentration processes was investigated. Total colour differences, Hunter L, a and b parameters were used to estimate the extent of colour loss. All Hunter colour parameters decreased with time. The zero-order, first-order and a combined kinetics model were applied to the changes in colour parameters. All models were found to describe the L, a and b-data adequately. Results indicated that variation in TCD followed both first-order and combined kinetics models. This model implied that the colour formation and pigment destruction occurred during concentration processes of American Pokeweed extract.

Keywords: American pokeweed, colour, concentration, kinetics

Procedia PDF Downloads 498

Authors: O. J. Jesumoroti, Faridoon, R. Klein, K. A. Iobb, D. Mnkadhla, H. C. Hoppe, P. T. Kaye

Abstract:

The 1, 3-aryl diketo acids (DKA) based agents represent an important class of HIV integrase (IN) strand transfer inhibitors. In other to study the chelating role of the divalent metal ion in the inhibition of IN strand transfer, we designed and synthesized a series of 2-hydroxy-3-oxo-3-phenyl propionate derivatives with the notion that such compounds could interact with the divalent ion in the active site of IN. The synthetic sequence to the desired compounds involves the concept of Doebner knoevenagel condensation, Fischer esterification and ketohydroxylation using neuclophilic re-oxidant; compounds were characterized by their IR, IHNMR, 13CNMR, HRMS spectroscopic data and melting point determination. Also, molecular docking was employed in this study and it was revealed that there is interaction with the active site of the enzyme. However, there is disparity in the corresponding anti-HIV activity determined by the experimental bioassay. These compounds lack potency at low micromolar concentration when compared to the results of the docking studies. Nevertheless, the results of the study suggest modification of the aryl ring with one or two hydroxyl groups to improve the inhibitory activity.

Keywords: anti-HIV-1 integrase, ketohydroxylation, molecular docking, propionate derivatives

Procedia PDF Downloads 194

Authors: Karla E. Sanchez-Cazares, Kim H. Parker, Jennifer H. Tweedy

Abstract:

The purpose of this work is to develop a simple compartmental model of cerebral fluid balance including blood and cerebrospinal-fluid (CSF). At the first level the cerebral arteries and veins are modelled as bifurcating trees with constant scaling factors between generations which are connected through a homogeneous microcirculation. The arteries and veins are assumed to be non-rigid and the cross-sectional area, resistance and mean pressure in each generation are determined as a function of blood volume flow rate. From the mean pressure and further assumptions about the variation of wall permeability, the transmural fluid flux can be calculated. The results suggest the next level of modelling where the cerebral vasculature is divided into three compartments; the large arteries, the small arteries, the capillaries and the veins with effective compliances and permeabilities derived from the detailed vascular model. These vascular compartments are then linked to other compartments describing the different CSF spaces, the cerebral ventricles and the subarachnoid space. This compartmental model is used to calculate the distribution of fluid in the cranium. Known volumes and flows for normal conditions are used to determine reasonable parameters for the model, which can then be used to help understand pathological behaviour and suggest clinical interventions.

Keywords: cerebrovascular, compartmental model, CSF model, vascular network

Procedia PDF Downloads 275