Search results for: molecular dynamics simulation.
Commenced in January 2007
Frequency: Monthly
Edition: International
Paper Count: 8799

Search results for: molecular dynamics simulation.

6339 Application of the Concept of Comonotonicity in Option Pricing

Authors: A. Chateauneuf, M. Mostoufi, D. Vyncke

Abstract:

Monte Carlo (MC) simulation is a technique that provides approximate solutions to a broad range of mathematical problems. A drawback of the method is its high computational cost, especially in a high-dimensional setting, such as estimating the Tail Value-at-Risk for large portfolios or pricing basket options and Asian options. For these types of problems, one can construct an upper bound in the convex order by replacing the copula by the comonotonic copula. This comonotonic upper bound can be computed very quickly, but it gives only a rough approximation. In this paper we introduce the Comonotonic Monte Carlo (CoMC) simulation, by using the comonotonic approximation as a control variate. The CoMC is of broad applicability and numerical results show a remarkable speed improvement. We illustrate the method for estimating Tail Value-at-Risk and pricing basket options and Asian options when the logreturns follow a Black-Scholes model or a variance gamma model.

Keywords: control variate Monte Carlo, comonotonicity, option pricing, scientific computing

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6338 Grid-Connected Inverter Experimental Simulation and Droop Control Implementation

Authors: Nur Aisyah Jalalludin, Arwindra Rizqiawan, Goro Fujita

Abstract:

In this study, we aim to demonstrate a microgrid system experimental simulation for an easy understanding of a large-scale microgrid system. This model is required for industrial training and learning environments. However, in order to create an exact representation of a microgrid system, the laboratory-scale system must fulfill the requirements of a grid-connected inverter, in which power values are assigned to the system to cope with the intermittent output from renewable energy sources. Aside from that, during changes in load capacity, the grid-connected system must be able to supply power from the utility grid side and microgrid side in a balanced manner. Therefore, droop control is installed in the inverter’s control board to maintain equal power sharing in both sides. This power control in a stand-alone condition and droop control in a grid-connected condition must be implemented in order to maintain a stabilized system. Based on the experimental results, power control and droop control can both be applied in the system by comparing the experimental and reference values.

Keywords: droop control, droop characteristic, grid-connected inverter, microgrid, power control

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6337 Physical Dynamics of Planet Earth and Their Implications for Global Climate Change and Mitigation: A Case Study of Sistan Plain, Balochistan Region, Southeastern Iran

Authors: Hamidoddin Yousefi, Ahmad Nikbakht

Abstract:

The Sistan Plain, situated in the Balochistan region of southeastern Iran, is renowned for its arid climatic conditions and prevailing winds that persist for approximately 120 days annually. The region faces multiple challenges, including drought susceptibility, exacerbated by wind erosion, temperature fluctuations, and the influence of policies implemented by neighboring Afghanistan and Iran. This study focuses on investigating the characteristics of jet streams within the Sistan Plain and their implications for global climate change. Various models are employed to analyze convective mass fluxes, horizontal moisture transport, temporal variance, and the calculation of radiation convective equilibrium within the atmosphere. Key considerations encompass the distribution of relative humidity, dry air, and absolute humidity. Moreover, the research aims to predict the interplay between jet streams and human activities, particularly regarding their environmental impacts and water scarcity. The investigation encompasses both local and global environmental consequences, drawing upon historical climate change data and comprehensive field research. The anticipated outcomes of this study hold substantial potential for mitigating global climate change and its associated environmental ramifications. By comprehending the dynamics of jet streams and their interconnections with human activities, effective strategies can be formulated to address water scarcity and minimize environmental degradation.

Keywords: Sistani plain, Baluchistan, Hamoun lake, climate change, jet streams, environmental impact, water scarcity, mitigation

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6336 Performance Evaluation of Grid Connected Photovoltaic System

Authors: Abdulkadir Magaji

Abstract:

This study analyzes and compares the actual measured and simulated performance of a 3.2 kwP grid-connected photovoltaic system. The system is located at the Outdoor Facility of Government Day secondary School Katsina State, which lies approximately between coordinate of 12°15′N 7°30′E. The system consists of 14 Mono crystalline silicon modules connected in two strings of 7 series-connected modules, each facing north at a fixed tilt of 340. The data presented in this study were measured in the year 2015, where the system supplied a total of 4628 kWh to the local electric utility grid. The performance of the system was simulated using PVsyst software using measured and Meteonorm derived climate data sets (solar radiation, ambient temperature and wind speed). The comparison between measured and simulated energy yield are discussed. Although, both simulation results were similar, better comparison between measured and predicted monthly energy yield is observed with simulation performed using measured weather data at the site. The measured performance ratio in the present study shows 58.4% is higher than those reported elsewhere as compared in the study.

Keywords: performance, evaluation, grid connection, photovoltaic system

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6335 Retrofitting of Bridge Piers against the Scour Damages: Case Study of the Marand-Soofian Route Bridge

Authors: Shatirah Akib, Hossein Basser, Hojat Karami, Afshin Jahangirzadeh

Abstract:

Bridge piers which are constructed in the track of high water rivers cause some variations in the flow patterns. This variation mostly is a result of the changes in river sections. Decreasing the river section, bridge piers significantly impress the flow patterns. Once the flow approaches the piers, the stream lines change their order, causing the appearance of different flow patterns around the bridge piers. New flow patterns are created following the geometry and the other technical characteristics of the piers. One of the most significant consequences of this event is the scour generated around the bridge piers which threatens the safety of the structure. In order to determine the properties of scour holes, to find maximum depth of the scour is an important factor. In this manuscript a numerical simulation of the scour around Marand-Soofian route bridge piers has been carried out via SSIIM 2.0 Software and the amount of maximum scour has been achieved subsequently. Eventually the methods for retrofitting of bridge piers against scours and also the methods for decreasing the amount of scour have been offered.

Keywords: scour, bridge pier, numerical simulation, SSIIM 2.0

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6334 Developing an Intelligent Table Tennis Ball Machine with Human Play Simulation for Technical Training

Authors: Chen-Chi An, Jun-Yi He, Cheng-Han Hsieh, Chen-Ching Ting

Abstract:

This research has successfully developed an intelligent table tennis ball machine with human play simulate all situations of human play to take the service. It is well known; an excellent ball machine can help the table tennis coach to provide more efficient teaching, also give players the good technical training and entertainment. An excellent ball machine should be able to service all balls based on human play simulation due to the conventional competitions are today all taken place for people. In this work, two counter-rotating wheels are used to service the balls, where changing the absolute rotating speeds of the two wheels and the differences of rotating speeds between the two wheels can adjust the struck forces and the rotating speeds of the ball. The relationships between the absolute rotating speed of the two wheels and the struck forces of the ball as well as the differences rotating speeds between the two wheels and the rotating speeds of the ball are experimentally determined for technical development. The outlet speed, the ejected distance, and the rotating speed of the ball were measured by changing the absolute rotating speeds of the two wheels in terms of a series of differences in rotating speed between the two wheels for calibration of the ball machine; where the outlet speed and the ejected distance of the ball were further converted to the struck forces of the ball. In process, the balls serviced by the intelligent ball machine were based on the received calibration curves with help of the computer. Experiments technically used photosensitive devices to detect the outlet and rotating speed of the ball. Finally, this research developed some teaching programs for technical training using three ball machines and received more efficient training.

Keywords: table tennis, ball machine, human play simulation, counter-rotating wheels

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6333 The Unique Electrical and Magnetic Properties of Thorium Di-Iodide Indicate the Arrival of Its Superconducting State

Authors: Dong Zhao

Abstract:

Even though the recent claim of room temperature superconductivity by LK-99 was confirmed an unsuccessful attempt, this work reawakened people’s century striving to get applicable superconductors with Tc of room temperature or higher and under ambient pressure. One of the efforts was focusing on exploring the thorium salts. This is because certain thorium compounds revealed an unusual property of having both high electrical conductivity and diamagnetism or the so-called “coexistence of high electrical conductivity and diamagnetism.” It is well known that this property of the coexistence of high electrical conductivity and diamagnetism is held by superconductors because of the electron pairings. Consequently, the likelihood for these thorium compounds to have superconducting properties becomes great. However, as a surprise, these thorium salts possess this property at room temperature and atmosphere pressure. This gives rise to solid evidence for these thorium compounds to be room-temperature superconductors without a need for external pressure. Among these thorium compound superconductors claimed in that work, thorium di-iodide (ThI₂) is a unique one and has received comprehensive discussion. ThI₂ was synthesized and structurally analyzed by the single crystal diffraction method in the 1960s. Its special property of coexistence of high electrical conductivity and diamagnetism was revealed. Because of this unique property, a special molecular configuration was sketched. Except for an ordinary oxidation of +2 for the thorium cation, the thorium’s oxidation state in ThI₂ is +4. According to the experimental results, ThI₂‘s actual molecular configuration was determined as an unusual one of [Th4+(e-)2](I-)2. This means that the ThI₂ salt’s cation is composed of a [Th4+(e-)2]2+ cation core. In other words, the cation of ThI₂ is constructed by combining an oxidation state +4 of the thorium atom and a pair of electrons or an electron lone pair located on the thorium atom. This combination of the thorium atom and the electron lone pair leads to an oxidation state +2 for the [Th4+(e-)2]2+ cation core. This special construction of the thorium cation is very distinctive, which is believed to be the factor that grants ThI₂ the room temperature superconductivity. Actually, the key for ThI₂ to become a room-temperature superconductor is this characteristic electron lone pair residing on the thorium atom along with the formation of a network constructed by the thorium atoms. This network specializes in a way that allows the electron lone pairs to hop over it and, thus, to generate the supercurrent. This work will discuss, in detail, the special electrical and magnetic properties of ThI₂ as well as its structural features at ambient conditions. The exploration of how the electron pairing in combination with the structurally specialized network works together to bring ThI₂ into a superconducting state. From the experimental results, strong evidence has definitely pointed out that the ThI₂ should be a superconductor, at least at room temperature and under atmosphere pressure.

Keywords: co-existence of high electrical conductivity and diamagnetism, electron lone pair, room temperature superconductor, special molecular configuration of thorium di-iodide ThI₂

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6332 Comparison of Conventional Control and Robust Control on Double-Pipe Heat Exchanger

Authors: Hanan Rizk

Abstract:

A heat exchanger is a device used to mix liquids having different temperatures. In this case, the temperature control becomes a critical objective. This research work presents the temperature control of the double-pipe heat exchanger (multi-input multi-output (MIMO) system), which is modeled as first-order coupled hyperbolic partial differential equations (PDEs), using conventional and advanced control techniques and develops appropriate robust control strategy to meet stability requirements and performance objectives. We designed a PID controller and H-infinity controller for a heat exchanger (HE) system. Frequency characteristics of sensitivity functions and open-loop and closed-loop time responses are simulated using MATLAB software, and the stability of the system is analyzed using Kalman's test. The simulation results have demonstrated that the H-infinity controller is more efficient than PID in terms of robustness and performance.

Keywords: heat exchanger, multi-input multi-output system, MATLAB simulation, partial differential equations, PID controller, robust control

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6331 Resonant Auxetic Metamaterial for Automotive Applications in Vibration Isolation

Authors: Adrien Pyskir, Manuel Collet, Zoran Dimitrijevic, Claude-Henri Lamarque

Abstract:

During the last decades, great efforts have been made to reduce acoustic and vibrational disturbances in transportations, as it has become a key feature for comfort. Today, isolation and design have neutralized most of the troublesome vibrations, so that cars are quieter and more comfortable than ever. However, some problems remain unsolved, in particular concerning low-frequency isolation and the frequency-dependent stiffening of materials like rubber. To sum it up, a balance has to be found between a high static stiffness to sustain the vibration source’s mass, and low dynamic stiffness, as wideband as possible. Systems meeting these criteria are yet to be designed. We thus investigated solutions inspired by metamaterials to control efficiently low-frequency wave propagation. Structures exhibiting a negative Poisson ratio, also called auxetic structures, are known to influence the propagation of waves through beaming or damping. However, their stiffness can be quite peculiar as well, as they can present regions of zero stiffness on the stress-strain curve for compression. In addition, auxetic materials can be easily adapted in many ways, inducing great tuning potential. Using finite element software COMSOL Multiphysics, a resonant design has been tested through statics and dynamics simulations. These results are compared to experimental results. In particular, the bandgaps featured by these structures are analyzed as a function of design parameters. Great stiffness properties can be observed, including low-frequency dynamic stiffness loss and broadband transmission loss. Such features are very promising for practical isolation purpose, and we hope to adopt this kind of metamaterial into an effective industrial damper.

Keywords: auxetics, metamaterials, structural dynamics, vibration isolation

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6330 Effect of the Diverse Standardized Patient Simulation Cultural Competence Education Strategy on Nursing Students' Transcultural Self-Efficacy Perceptions

Authors: Eda Ozkara San

Abstract:

Nurse educators have been charged by several nursing organizations and accrediting bodies to provide innovative and evidence-based educational experiences, both didactic and clinical, to help students to develop the knowledge, skills, and attitudes needed to provide culturally competent nursing care to patients. Clinical simulation, which offers the opportunity for students to practice nursing skills in a risk-free, controlled environment and helps develop self-efficacy (confidence) within the nursing role. As one simulation method, the standardized patients (SPs) simulation helps educators to teach nursing students variety of skills in nursing, medicine, and other health professions. It can be a helpful tool for nurse educators to enhance cultural competence of nursing students. An alarming gap exists within the literature concerning the effectiveness of SP strategy to enhance cultural competence development of diverse student groups, who must work with patients from various backgrounds. This grant-supported, longitudinal, one-group, pretest and post-test educational intervention study aimed to examine the effect of the Diverse Standardized Patient Simulation (DSPS) cultural competence education strategy on students’ (n = 53) transcultural self-efficacy (TSE). The researcher-developed multidimensional DSPS strategy involved careful integration of transcultural nursing skills guided by the Cultural Competence and Confidence (CCC) model. As a carefully orchestrated teaching and learning strategy by specifically utilizing the SP pedagogy, the DSPS also followed international guidelines and standards for the design, implementation, evaluation, and SP training; and had content validity review. The DSPS strategy involved two simulation scenarios targeting underrepresented patient populations (Muslim immigrant woman with limited English proficiency and Irish-Italian American gay man with his partner (Puerto Rican) to be utilized in a second-semester, nine-credit, 15-week medical-surgical nursing course at an urban public US university. Five doctorally prepared content experts reviewed the DSPS strategy for content validity. The item-level content validity index (I-CVI) score was calculated between .80-1.0 on the evaluation forms. Jeffreys’ Transcultural Self-Efficacy Tool (TSET) was administered as a pretest and post-test to assess students’ changes in cognitive, practical, and affective dimensions of TSE. Results gained from this study support that the DSPS cultural competence education strategy assisted students to develop cultural competence and caused statistically significant changes (increase) in students’ TSE perceptions. Results also supported that all students, regardless of their background, benefit (and require) well designed cultural competence education strategies. The multidimensional DSPS strategy is found to be an effective way to foster nursing students’ cultural competence development. Step-by-step description of the DSPS provides an easy adaptation of this strategy with different student populations and settings.

Keywords: cultural competence development, the cultural competence and confidence model, CCC model, educational intervention, transcultural self-efficacy, TSE, transcultural self-efficacy tool, TSET

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6329 Strained Channel Aluminum Nitride/Gallium Nitride Heterostructures Homoepitaxially Grown on Aluminum Nitride-On-Sapphire Template by Plasma-Assisted Molecular Beam Epitaxy

Authors: Jiajia Yao, GuanLin Wu, Fang liu, JunShuai Xue, JinCheng Zhang, Yue Hao

Abstract:

Due to its outstanding material properties like high thermal conductivity and ultra-wide bandgap, Aluminum nitride (AlN) has the promising potential to provide high breakdown voltage and high output power among III-nitrides for various applications in electronics and optoelectronics. This work presents material growth and characterization of strained channel Aluminum nitride/Gallium nitride (AlN/GaN) heterostructures grown by plasma-assisted molecular beam epitaxy (PA-MBE) on AlN-on-sapphire templates. To improve the crystal quality and manifest the ability of the PA-MBE approach, a thick AlN buffer with a thickness of 180 nm is first grown on AlN template, which acts as a back-barrier to enhance the breakdown characteristic and isolates the leakage path existing in the interface between AlN epilayer and AlN template, as well as improve the heat dissipation. The grown AlN buffer features a root-mean-square roughness of 0.2 nm over a scanned area of 2×2 µm2 measured by atomic force microscopy (AFM), and exhibits full-width at half-maximum of 95 and 407 arcsec for the (002) and (102) plane the X-ray rocking curve, respectively, tested by high resolution x-ray diffraction (HR-XRD). With a thin and strained GaN channel, the electron mobility of 294 cm2 /Vs. with a carrier concentration of 2.82×1013 cm-2 at room temperature is achieved in AlN/GaN double-channel heterostructures, and the depletion capacitance is as low as 14 pF resolved by the capacitance-voltage, which indicates the promising opportunities for future applications in next-generation high temperature, high-frequency and high-power electronics with a further increased electron mobility by optimization of heterointerface quality.

Keywords: AlN/GaN, HEMT, MBE, homoepitaxy

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6328 Prediction of Welding Induced Distortion in Thin Metal Plates Using Temperature Dependent Material Properties and FEA

Authors: Rehan Waheed, Abdul Shakoor

Abstract:

Distortion produced during welding of thin metal plates is a problem in many industries. The purpose of this research was to study distortion produced during welding in 2mm Mild Steel plate by simulating the welding process using Finite Element Analysis. Simulation of welding process requires a couple field transient analyses. At first a transient thermal analysis is performed and the temperature obtained from thermal analysis is used as input in structural analysis to find distortion. An actual weld sample is prepared and the weld distortion produced is measured. The simulated and actual results were in quite agreement with each other and it has been found that there is profound deflection at center of plate. Temperature dependent material properties play significant role in prediction of weld distortion. The results of this research can be used for prediction and control of weld distortion in large steel structures by changing different weld parameters.

Keywords: welding simulation, FEA, welding distortion, temperature dependent mechanical properties

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6327 Dynamics of Parent to Adolescent Communication on Sexual and Reproductive Health in Sub-Saharan Africa: A Focus on Barriers and Policy Implications

Authors: Douglas Nyathi, Mxolisi Sibanda, Joram Ndlovuu, Thulani Dube, Innocent T. Mahiya

Abstract:

Communication of sexual matters between the parents and adolescents has been seen as one of the strategies that could play a cardinal role in encouraging adolescents to be responsible and delay sexual debut or avoid unprotected sexual intercourse. The increasing rate of teenage pregnancies and new HIV/AIDS infections among adolescents in Sub-Saharan Africa makes the phenomenon worth analysis. The purpose of this paper is to interrogate the dynamics of parent-adolescent communication on sexual and reproductive health in Sub-Sahara. Specifically the paper focuses on barriers to communication between parents and adolescents on sexual and reproductive health and its policy implications. It emanates from the paper that communication on sexual and reproductive health at household level is triggered by death of a relative from a sexual related illness, suspicion on sexual activity, radio programmes and in some instances fliers. Literature engagement reveals that communication between parents and adolescents on sexual and reproductive health is made difficult by economic factors (poverty, lack of privacy and low self-esteem), household demographics (age, sex, class, death), socio-cultural factors (beliefs and religious values) as well as social media. We argue that there is need to use broadcast mediato come up with radio and television programmes that create family environments in which sexual and reproductive health issues are discussed. We also recommend that government departments and Non-Governmental Organisations concerned with sexuality issues need to undertake studies that can help dismantle taboos, prejudices and stereotypes that impede sexual and reproductive health communication between parents and adolescents.

Keywords: parent, adolecsent, communication, sexual and reproductive health

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6326 Enhanced Recoverable Oil in Northern Afghanistan Kashkari Oil Field by Low-Salinity Water Flooding

Authors: Zabihullah Mahdi, Khwaja Naweed Seddiqi

Abstract:

Afghanistan is located in a tectonically complex and dynamic area, surrounded by rocks that originated on the mother continent of Gondwanaland. The northern Afghanistan basin, which runs along the country's northern border, has the potential for petroleum generation and accumulation. The Amu Darya basin has the largest petroleum potential in the region. Sedimentation occurred in the Amu Darya basin from the Jurassic to the Eocene epochs. Kashkari oil field is located in northern Afghanistan's Amu Darya basin. The field structure consists of a narrow northeast-southwest (NE-SW) anticline with two structural highs, the northwest limb being mild and the southeast limb being steep. The first oil production well in the Kashkari oil field was drilled in 1976, and a total of ten wells were drilled in the area between 1976 and 1979. The amount of original oil in place (OOIP) in the Kashkari oil field, based on the results of surveys and calculations conducted by research institutions, is estimated to be around 140 MMbbls. The objective of this study is to increase recoverable oil reserves in the Kashkari oil field through the implementation of low-salinity water flooding (LSWF) enhanced oil recovery (EOR) technique. The LSWF involved conducting a core flooding laboratory test consisting of four sequential steps with varying salinities. The test commenced with the use of formation water (FW) as the initial salinity, which was subsequently reduced to a salinity level of 0.1%. Afterwards, the numerical simulation model of core scale oil recovery by LSWF was designed by Computer Modelling Group’s General Equation Modeler (CMG-GEM) software to evaluate the applicability of the technology to the field scale. Next, the Kahskari oil field simulation model was designed, and the LSWF method was applied to it. To obtain reasonable results, laboratory settings (temperature, pressure, rock, and oil characteristics) are designed as far as possible based on the condition of the Kashkari oil field, and several injection and production patterns are investigated. The relative permeability of oil and water in this study was obtained using Corey’s equation. In the Kashkari oilfield simulation model, three models: 1. Base model (with no water injection), 2. FW injection model, and 3. The LSW injection model were considered for the evaluation of the LSWF effect on oil recovery. Based on the results of the LSWF laboratory experiment and computer simulation analysis, the oil recovery increased rapidly after the FW was injected into the core. Subsequently, by injecting 1% salinity water, a gradual increase of 4% oil can be observed. About 6.4% of the field, is produced by the application of the LSWF technique. The results of LSWF (salinity 0.1%) on the Kashkari oil field suggest that this technology can be a successful method for developing Kashkari oil production.

Keywords: low salinity water flooding, immiscible displacement, kashkari oil field, twophase flow, numerical reservoir simulation model

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6325 Partial Purification and Characterization of a Low Molecular Weight and Industrially Important Chitinase and a Chitin Deacetylase Enzyme from Streptomyces Chilikensis RC1830, a Novel Strain Isolated from Chilika Lake, India

Authors: Lopamudra Ray, Malla Padma, Dibya Bhol, Samir Ranjan Mishra, A. N. Panda, Gurdeep Rastogi, T. K. Adhya, Ajit Kumar Pattnaik, Mrutyunjay Suar, Vishakha Raina

Abstract:

Chilika Lake is the largest coastal estuarine brackish water lagoon in Asia situated on the east coast of India and is a designated Ramsar site. In the current study, several chitinolytic microorganisms were isolated and screened by appearance of clearance zone on 0.5% colloidal chitin agar plate. A strain designated as RC 1830 displayed maximum colloidal chitin degradation by release of 112 μmol/ml/min of N-acetyl D-glucosamine (GlcNAc) in 48h. The strain was taxonomically identified by polyphasic approach based on a range of phenotypic and genotypic properties and was found to be a novel species named Streptomyces chilikensis RC1830. The organism was halophilic (12% NaCl w/v), alkalophilic (pH10) and was capable of hydrolyzing chitin, starch, cellulose, gelatin, casein, tributyrin and tween 80. The partial purification of chitinase enzymes from RC1830 was performed by DEAE Sephacel anion exchange chromatography which revealed the presence of a very low molecular weight chitinase(10.5kD) which may be a probable chitobiosidase enzyme. The study reports the presence of a low MW chitinase (10.5kD) and a chitin decaetylase from a novel Streptomyces strain RC1830 isolated from Chilika Lake. Previously chitinases less than 20.5kD have not been reported from any other Streptomyces species. The enzymes was characterized with respect to optimum pH, temperature, and substrate specificity and temperature stability.

Keywords: chitinases, chitobiosidase, Chilika Lake, India

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6324 Molecular Docking Analysis of Flavonoids Reveal Potential of Eriodictyol for Breast Cancer Treatment

Authors: Nicole C. Valdez, Vincent L. Borromeo, Conrad C. Chong, Ahmad F. Mazahery

Abstract:

Breast cancer is the most prevalent cancer worldwide, where the majority of cases are estrogen-receptor positive and involve 2 receptor proteins. The binding of estrogen to estrogen receptor alpha (ERα) promotes breast cancer growth, while it's binding to estrogen-receptor beta (ERβ) inhibits tumor growth. While natural products have been a promising source of chemotherapeutic agents, the challenge remains in finding a bioactive compound that specifically targets cancer cells, minimizing side effects on normal cells. Flavonoids are natural products that act as phytoestrogens and induce the same response as estrogen. They are able to compete with estrogen for binding to ERα; however, it has a higher binding affinity for ERβ. Their abundance in nature and low toxicity make them a potential candidate for breast cancer treatment. This study aimed to determine which particular flavonoids can specifically recognize ERβ and potentially be used for breast cancer treatment through molecular docking. A total of 206 flavonoids comprised of 97 isoflavones and 109 flavanones were collected from ZINC15, while the 3D structures of ERβ and ERα were obtained from Protein Data Bank. These flavonoid subclasses were chosen as they bind more strongly to ERs due to their chemical structure. The structures of the flavonoid ligands were converted using Open Babel, while the estrogen receptor protein structures were prepared using Autodock MGL Tools. The optimal binding site was found using BIOVIA Discovery Studio Visualizer before docking all flavonoids on both ERβ and ERα through Autodock Vina. Genistein is a flavonoid that exhibits anticancer effects by binding to ERβ, so its binding affinity was used as a baseline. Eriodictyol and 4”,6”-Di-O-Galloylprunin both exceeded genistein’s binding affinity for ERβ and was lower than its binding affinity for ERα. Of the two, eriodictyol was pursued due to its antitumor properties on a lung cancer cell line and on glioma cells. It is able to arrest the cell cycle at the G2/M phase by inhibiting the mTOR/PI3k/Akt cascade and is able to induce apoptosis via the PI3K/Akt/NF-kB pathway. Protein pathway and gene analysis were also conducted using ChEMBL and PANTHER and it was shown that eriodictyol might induce anticancer effects through the ROS1, CA7, KMO, and KDM1A genes which are involved in cell proliferation in breast cancer, non-small cell lung cancer, and other diseases. The high binding affinity of eriodictyol to ERβ, as well as its potential affected genes and antitumor effects, therefore, make it a candidate for the development of new breast cancer treatment. Verification through in vitro experiments such as checking the upregulation and downregulation of genes through qPCR and checking cell cycle arrest using a flow cytometry assay is recommended.

Keywords: breast cancer, estrogen receptor, flavonoid, molecular docking

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6323 Resistivity Tomography Optimization Based on Parallel Electrode Linear Back Projection Algorithm

Authors: Yiwei Huang, Chunyu Zhao, Jingjing Ding

Abstract:

Electrical Resistivity Tomography has been widely used in the medicine and the geology, such as the imaging of the lung impedance and the analysis of the soil impedance, etc. Linear Back Projection is the core algorithm of Electrical Resistivity Tomography, but the traditional Linear Back Projection can not make full use of the information of the electric field. In this paper, an imaging method of Parallel Electrode Linear Back Projection for Electrical Resistivity Tomography is proposed, which generates the electric field distribution that is not linearly related to the traditional Linear Back Projection, captures the new information and improves the imaging accuracy without increasing the number of electrodes by changing the connection mode of the electrodes. The simulation results show that the accuracy of the image obtained by the inverse operation obtained by the Parallel Electrode Linear Back Projection can be improved by about 20%.

Keywords: electrical resistivity tomography, finite element simulation, image optimization, parallel electrode linear back projection

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6322 Cumulus-Oocyte Complexes and Follicular Fluid Proteins of Pig during Folliculogenesis

Authors: Panomporn Wisuthseriwong, Hatairuk Tungkasen, Siyaporn Namsongsan, Chanikarn Srinark, Mayuva Youngsabanant-Areekijseree

Abstract:

The objective of the present study was to evaluate the morphology of porcine cumulus-oocyte complexes (pCOCs) and follicular fluid during follicular development. The samples were obtained from local slaughterhouses in Nakorn Pathom Province, Thailand. Pigs were classified as either in the follicular phase or luteal phase. Porcine follicles (n = 3,510) were categorized as small (1-3 mm in diameters; n=2,910), medium (4-6 mm in diameters; n=530) and large (7-8 mm in diameters; n=70). Then pCOCs and follicular fluid were collected. Finally, we found that the oocytes can be categorized into intact cumulus cells layer oocyte, multi-cumulus cells layer oocyte, partial cumulus cells layer oocyte, completely denuded oocyte and degenerated oocyte. They showed high percentage of intact and multi-cumulus cells layer oocytes from small follicles (54.68%) medium follicles (69.06%) and large follicles (68.57%), which have high potential to develop into matured oocytes in vitro. Protein composition of the follicular fluid was separated by SDS-PAGE technique. The result shows that the protein molecular weight in the small and medium follicles are 23, 50, 66, 75, 92, 100, 132, 163, 225 and >225 kDa. Meanwhile, protein molecular weight in large follicles are 12, 16, 23, 50, 66, 75, 92, 100, 132, 163, 225 and >225 kDa. All proteins play an important role in promotion and regulation on development, maturation of oocytes and regulation of ovulation. We conclude that the results of discovery can be used porcine secretion proteins for supplement in IVM/IVF technology. Acknowledgements: The project was funded by a grant from Silpakorn University Research and Development Institute (SURDI) and Faculty of Science, Silpakorn University, Thailand.

Keywords: porcine follicles, porcine oocyte, follicular fluid, SDS-PAGE

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6321 Analyzing the Readiness of Resuscitation Team during Cardiac Arrest

Authors: J. Byimana, I. A. Muhire, J. E. Nzabahimana, A. Nyombayire

Abstract:

Introduction: A successful cardiopulmonary resuscitation during a sudden cardiac arrest can be delayed by different components including new hospital setting, lack of adequate training, lack of pre-established resuscitation team and ineffective communication and lead to an unexpected outcome which is death. The main objective of the study was to assess the readiness of resuscitation teams during cardiac arrest and the organizational approaches that would best support their functioning in a new hospital facility, and to detect any factor that may have contributed to responses. This study analyses the readiness of Resuscitation Team (RT) during cardiac arrest. —Material and methods: A prospective Analytic design was carried out at a newly established United Nations level 2 hospital facility, on four RTM (resuscitation team member). A semi structured questionnaire was used to collect data. —Results: This study highlights indicate that the response time during cardiac arrest simulation meet both American heart association (AHA) and European resuscitation council guidelines. The study offers useful evidence about the impact of a new facility on RTM performance and provides an exposure of staff to emergency events within the Work setting.

Keywords: cardiac arrest, code blue, simulation, resuscitation team member

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6320 Integration of Multi Effect Desalination with Solid Oxide Fuel Cell/Gas Turbine Power Cycle

Authors: Mousa Meratizaman, Sina Monadizadeh, Majid Amidpour

Abstract:

One of the most favorable thermal desalination methods used widely today is Multi Effect Desalination. High energy consumption in this method causes coupling it with high temperature power cycle like gas turbine. This combination leads to higher energy efficiency. One of the high temperature power systems which have cogeneration opportunities is Solid Oxide Fuel Cell / Gas Turbine. Integration of Multi Effect Desalination with Solid Oxide Fuel Cell /Gas Turbine power cycle in a range of 300-1000 kW is considered in this article. The exhausted heat of Solid Oxide Fuel Cell /Gas Turbine power cycle is used in Heat Recovery Steam Generator to produce needed motive steam for Desalination unit. Thermodynamic simulation and parametric studies of proposed system are carried out to investigate the system performance.

Keywords: solid oxide fuel cell, thermodynamic simulation, multi effect desalination, gas turbine hybrid cycle

Procedia PDF Downloads 352
6319 An Approach for the Capture of Carbon Dioxide via Polymerized Ionic Liquids

Authors: Ghassan Mohammad Alalawi, Abobakr Khidir Ziyada, Abdulmajeed Khan

Abstract:

A potential alternative or next-generation CO₂-selective separation medium that has lately been suggested is ionic liquids (ILs). It is more facile to "tune" the solubility and selectivity of CO₂ in ILs compared to organic solvents via modification of the cation and/or anion structures. Compared to ionic liquids at ambient temperature, polymerized ionic liquids exhibited increased CO₂ sorption capacities and accelerated sorption/desorption rates. This research aims to investigate the correlation between the CO₂ sorption rate and capacity of poly ionic liquids (pILs) and the chemical structure of these substances. The dependency of sorption on the ion conductivity of the pILs' cations and anions is one of the theories we offered to explain the attraction between CO₂ and pILs. This assumption was supported by the Monte Carlo molecular dynamics simulations results, which demonstrated that CO₂ molecules are localized around both cations and anions and that their sorption depends on the cations' and anions' ion conductivities. Polymerized ionic liquids are synthesized to investigate the impact of substituent alkyl chain length, cation, and anion on CO₂ sorption rate and capacity. Three stages are involved in synthesizing the pILs under study: first, trialkyl amine and vinyl benzyl chloride are directly quaternized to obtain the required cation. Next, anion exchange is performed, and finally, the obtained IL is polymerized to form the desired product (pILs). The synthesized pILs' structures were confirmed using elemental analysis and NMR. The synthesized pILs are characterized by examining their structure topology, chloride content, density, and thermal stability using SEM, ion chromatography (using a Metrohm Model 761 Compact IC apparatus), ultrapycnometer, and TGA. As determined by the CO₂ sorption results using a magnetic suspension balance (MSB) apparatus, the sorption capacity of pILs is dependent on the cation and anion ion conductivities. The anion's size also influences the CO₂ sorption rate and capacity. It was discovered that adding water to pILs caused a dramatic, systematic enlargement of pILs resulting in a significant increase in their capacity to absorb CO₂ under identical conditions, contingent on the type of gas, gas flow, applied gas pressure, and water content of the pILs. Along with its capacity to increase surface area through expansion, water also possesses highly high ion conductivity for cations and anions, enhancing its ability to absorb CO₂.

Keywords: polymerized ionic liquids, carbon dioxide, swelling, characterization

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6318 Implementing Delivery Drones in Logistics Business Process: Case of Pharmaceutical Industry

Authors: Nikola Vlahovic, Blazenka Knezevic, Petra Batalic

Abstract:

In this paper, we will present a research about feasibility of implementing unmanned aerial vehicles, also known as 'drones', in logistics. Research is based on available information about current incentives and experiments in application of delivery drones in commercial use. Overview of current pilot projects and literature, as well as an overview of detected challenges, will be compiled and presented. Based on these findings, we will present a conceptual model of business process that implements delivery drones in business to business logistic operations. Business scenario is based on a pharmaceutical supply chain. Simulation modeling will be used to create models for running experiments and collecting performance data. Comparative study of the presented conceptual model will be given. The work will outline the main advantages and disadvantages of implementing unmanned aerial vehicles in delivery services as a supplementary distribution channel along the supply chain.

Keywords: business process, delivery drones, logistics, simulation modelling, unmanned aerial vehicles

Procedia PDF Downloads 377
6317 A Study to Connect the Objective Interface Design Characters To Ergonomic Safety

Authors: Gaoguang Yang, Shan Fu

Abstract:

Human-machine interface (HMI) intermediate system information to human operators to facilitate human ability to manage and control the system. Well-designed HMI would enhance human ability. An evaluation must be performed to confirm that the designed HMI would enhance but not degrade human ability. However, the prevalent HMI evaluation techniques have difficulties in more thoroughly and accurately evaluating the suitability and fitness of a given HMI for the wide variety of uncertainty contained in both the existing HMI evaluation techniques and the large number of task scenarios. The first limitation should be attributed to the subjective and qualitative analysis characteristics of these evaluation methods, and the second one should be attributed to the cost balance. This study aims to explore the connection between objective HMI characters and ergonomic safety and step forward toward solving these limitations with objective, characterized HMI parameters. A simulation experiment was performed with the time needed for human operators to recognize the HMI information as characterized HMI parameter, and the result showed a strong correlation between the parameter and ergonomic safety level.

Keywords: Human-Machine Interface (HMI), evaluation, objective, characterization, simulation

Procedia PDF Downloads 53
6316 Dimensionality Control of Li Transport by MOFs Based Quasi-Solid to Solid Electrolyte

Authors: Manuel Salado, Mikel Rincón, Arkaitz Fidalgo, Roberto Fernandez, Senentxu Lanceros-Méndez

Abstract:

Lithium-ion batteries (LIBs) are a promising technology for energy storage, but they suffer from safety concerns due to the use of flammable organic solvents in their liquid electrolytes. Solid-state electrolytes (SSEs) offer a potential solution to this problem, but they have their own limitations, such as poor ionic conductivity and high interfacial resistance. The aim of this research was to develop a new type of SSE based on metal-organic frameworks (MOFs) and ionic liquids (ILs). MOFs are porous materials with high surface area and tunable electronic properties, making them ideal for use in SSEs. ILs are liquid electrolytes that are non-flammable and have high ionic conductivity. A series of MOFs were synthesized, and their electrochemical properties were evaluated. The MOFs were then infiltrated with ILs to form a quasi-solid gel and solid xerogel SSEs. The ionic conductivity, interfacial resistance, and electrochemical performance of the SSEs were characterized. The results showed that the MOF-IL SSEs had significantly higher ionic conductivity and lower interfacial resistance than conventional SSEs. The SSEs also exhibited excellent electrochemical performance, with high discharge capacity and long cycle life. The development of MOF-IL SSEs represents a significant advance in the field of solid-state electrolytes. The high ionic conductivity and low interfacial resistance of the SSEs make them promising candidates for use in next-generation LIBs. The data for this research was collected using a variety of methods, including X-ray diffraction, scanning electron microscopy, and electrochemical impedance spectroscopy. The data was analyzed using a variety of statistical and computational methods, including principal component analysis, density functional theory, and molecular dynamics simulations. The main question addressed by this research was whether MOF-IL SSEs could be developed that have high ionic conductivity, low interfacial resistance, and excellent electrochemical performance. The results of this research demonstrate that MOF-IL SSEs are a promising new type of solid-state electrolyte for use in LIBs. The SSEs have high ionic conductivity, low interfacial resistance, and excellent electrochemical performance. These properties make them promising candidates for use in next-generation LIBs that are safer and have higher energy densities.

Keywords: energy storage, solid-electrolyte, ionic liquid, metal-organic-framework, electrochemistry, organic inorganic plastic crystal

Procedia PDF Downloads 63
6315 Applications of High Intensity Ultrasound to Modify Millet Protein Concentrate Functionality

Authors: B. Nazari, M. A. Mohammadifar, S. Shojaee-Aliabadi, L. Mirmoghtadaie

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Millets as a new source of plant protein were not used in food applications due to its poor functional properties. In this study, the effect of high intensity ultrasound (frequency: 20 kHz, with contentious flow) (US) in 100% amplitude for varying times (5, 12.5, and 20 min) on solubility, emulsifying activity index (EAI), emulsion stability (ES), foaming capacity (FC), and foaming stability (FS) of millet protein concentrate (MPC) were evaluated. In addition, the structural properties of best treatments such as molecular weight and surface charge were compared with the control sample to prove the US effect. The US treatments significantly (P<0.05) increased the solubility of the native MPC (65.8±0.6%) at all sonicated times with the maximum solubility that is recorded at 12.5 min treatment (96.9±0.82 %). The FC of MPC was also significantly affected by the US treatment. Increase in sonicated time up to 12.5 min significantly increased the FC of native MPC (271.03±4.51 ml), but higher increase reduced it significantly. Minimal improvements were observed in the FS of all sonicated MPC compared to the native MPC. Sonicated time for 12.5 min affected the EAI and ES of the native MPC more markedly than 5 and 20 min that may be attributed to higher increase in proteins tendency to adsorption at the oil and water interfaces after the US treatment at this time. SDS-PAGE analysis showed changes in the molecular weight of MPC that attributed to shearing forces created by cavitation phenomenon. Also, this phenomenon caused an increase in the exposure of more amino acids with negative charge in the surface of US treated MPC, that was demonstrated by Zetasizer data. High intensity ultrasound, as a green technology, can significantly increase the functional properties of MPC and can make this usable for food applications.

Keywords: functional properties, high intensity ultrasound, millet protein concentrate, structural properties

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6314 A Novel Rapid Well Control Technique Modelled in Computational Fluid Dynamics Software

Authors: Michael Williams

Abstract:

The ability to control a flowing well is of the utmost important. During the kill phase, heavy weight kill mud is circulated around the well. While increasing bottom hole pressure near wellbore formation, the damage is increased. The addition of high density spherical objects has the potential to minimise this near wellbore damage, increase bottom hole pressure and reduce operational time to kill the well. This operational time saving is seen in the rapid deployment of high density spherical objects instead of building high density drilling fluid. The research aims to model the well kill process using a Computational Fluid Dynamics software. A model has been created as a proof of concept to analyse the flow of micron sized spherical objects in the drilling fluid. Initial results show that this new methodology of spherical objects in drilling fluid agrees with traditional stream lines seen in non-particle flow. Additional models have been created to demonstrate that areas of higher flow rate around the bit can lead to increased probability of wash out of formations but do not affect the flow of micron sized spherical objects. Interestingly, areas that experience dimensional changes such as tool joints and various BHA components do not appear at this initial stage to experience increased velocity or create areas of turbulent flow, which could lead to further borehole stability. In conclusion, the initial models of this novel well control methodology have not demonstrated any adverse flow patterns, which would conclude that this model may be viable under field conditions.

Keywords: well control, fluid mechanics, safety, environment

Procedia PDF Downloads 157
6313 Using Traffic Micro-Simulation to Assess the Benefits of Accelerated Pavement Construction for Reducing Traffic Emissions

Authors: Sudipta Ghorai, Ossama Salem

Abstract:

Pavement maintenance, repair, and rehabilitation (MRR) processes may have considerable environmental impacts due to traffic disruptions associated with work zones. The simulation models in use to predict the emission of work zones were mostly static emission factor models (SEFD). SEFD calculates emissions based on average operation conditions e.g. average speed and type of vehicles. Although these models produce accurate results for large-scale planning studies, they are not suitable for analyzing driving conditions at the micro level such as acceleration, deceleration, idling, cruising, and queuing in a work zone. The purpose of this study is to prepare a comprehensive work zone environmental assessment (WEA) framework to calculate the emissions caused due to disrupted traffic; by integrating traffic microsimulation tools with emission models. This will help highway officials to assess the benefits of accelerated construction and opt for the most suitable TMP not only economically but also from an environmental point of view.

Keywords: accelerated construction, pavement MRR, traffic microsimulation, congestion, emissions

Procedia PDF Downloads 434
6312 Liquid Tin(II) Alkoxide Initiators for Use in the Ring-Opening Polymerisation of Cyclic Ester Monomers

Authors: Sujitra Ruengdechawiwat, Robert Molloy, Jintana Siripitayananon, Runglawan Somsunan, Paul D. Topham, Brian J. Tighe

Abstract:

The main aim of this research has been to design and synthesize some completely soluble liquid tin(II) alkoxide initiators for use in the ring-opening polymerisation (ROP) of cyclic ester monomers. This is in contrast to conventional tin(II) alkoxides in solid form which tend to be molecular aggregates and difficult to dissolve. The liquid initiators prepared were bis(tin(II) monooctoate) diethylene glycol ([Sn(Oct)]2DEG) and bis(tin(II) monooctoate) ethylene glycol ([Sn(Oct)]2EG). Their efficiencies as initiators in the bulk ROP of ε-caprolactone (CL) at 130oC were studied kinetically by dilatometry. Kinetic data over the 20-70% conversion range was used to construct both first-order and zero-order rate plots. It was found that the rate data fitted more closely to first-order kinetics with respect to the monomer concentration and gave higher first-order rate constants than the corresponding tin(II) octoate/diol initiating systems normally used to generate the tin(II) alkoxide in situ. Since the ultimate objective of this work is to produce copolymers suitable for biomedical use as absorbable monofilament surgical sutures, poly(L-lactide-co-ε-caprolactone) 75:25 mol %, P(LL-co-CL), copolymers were synthesized using both solid and liquid tin(II) alkoxide initiators at 130°C for 48 hrs. The statistical copolymers were obtained in near-quantitative yields with compositions (from 1H-NMR) close to the initial comonomer feed ratios. The monomer sequencing (from 13C-NMR) was partly random and partly blocky (gradient-type) due to the much differing monomer reactivity ratios (rLL >> rCL). From GPC, the copolymers obtained using the soluble liquid tin(II) alkoxides were found to have higher molecular weights (Mn = 40,000-100,000) than those from the only partially soluble solid initiators (Mn = 30,000-52,000).

Keywords: biodegradable polyesters, poly(L-lactide-co-ε-caprolactone), ring-opening polymerisation, tin(II) alkoxide

Procedia PDF Downloads 178
6311 Agent-Based Modeling to Simulate the Dynamics of Health Insurance Markets

Authors: Haripriya Chakraborty

Abstract:

The healthcare system in the United States is considered to be one of the most inefficient and expensive systems when compared to other developed countries. Consequently, there are persistent concerns regarding the overall functioning of this system. For instance, the large number of uninsured individuals and high premiums are pressing issues that are shown to have a negative effect on health outcomes with possible life-threatening consequences. The Affordable Care Act (ACA), which was signed into law in 2010, was aimed at improving some of these inefficiencies. This paper aims at providing a computational mechanism to examine some of these inefficiencies and the effects that policy proposals may have on reducing these inefficiencies. Agent-based modeling is an invaluable tool that provides a flexible framework to model complex systems. It can provide an important perspective into the nature of some interactions that occur and how the benefits of these interactions are allocated. In this paper, we propose a novel and versatile agent-based model with realistic assumptions to simulate the dynamics of a health insurance marketplace that contains a mixture of private and public insurers and individuals. We use this model to analyze the characteristics, motivations, payoffs, and strategies of these agents. In addition, we examine the effects of certain policies, including some of the provisions of the ACA, aimed at reducing the uninsured rate and the cost of premiums to move closer to a system that is more equitable and improves health outcomes for the general population. Our test results confirm the usefulness of our agent-based model in studying this complicated issue and suggest some implications for public policies aimed at healthcare reform.

Keywords: agent-based modeling, healthcare reform, insurance markets, public policy

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6310 OpenFOAM Based Simulation of High Reynolds Number Separated Flows Using Bridging Method of Turbulence

Authors: Sagar Saroha, Sawan S. Sinha, Sunil Lakshmipathy

Abstract:

Reynolds averaged Navier-Stokes (RANS) model is the popular computational tool for prediction of turbulent flows. Being computationally less expensive as compared to direct numerical simulation (DNS), RANS has received wide acceptance in industry and research community as well. However, for high Reynolds number flows, the traditional RANS approach based on the Boussinesq hypothesis is incapacitated to capture all the essential flow characteristics, and thus, its performance is restricted in high Reynolds number flows of practical interest. RANS performance turns out to be inadequate in regimes like flow over curved surfaces, flows with rapid changes in the mean strain rate, duct flows involving secondary streamlines and three-dimensional separated flows. In the recent decade, partially averaged Navier-Stokes (PANS) methodology has gained acceptability among seamless bridging methods of turbulence- placed between DNS and RANS. PANS methodology, being a scale resolving bridging method, is inherently more suitable than RANS for simulating turbulent flows. The superior ability of PANS method has been demonstrated for some cases like swirling flows, high-speed mixing environment, and high Reynolds number turbulent flows. In our work, we intend to evaluate PANS in case of separated turbulent flows past bluff bodies -which is of broad aerodynamic research and industrial application. PANS equations, being derived from base RANS, continue to inherit the inadequacies from the parent RANS model based on linear eddy-viscosity model (LEVM) closure. To enhance PANS’ capabilities for simulating separated flows, the shortcomings of the LEVM closure need to be addressed. Inabilities of the LEVMs have inspired the development of non-linear eddy viscosity models (NLEVM). To explore the potential improvement in PANS performance, in our study we evaluate the PANS behavior in conjugation with NLEVM. Our work can be categorized into three significant steps: (i) Extraction of PANS version of NLEVM from RANS model, (ii) testing the model in the homogeneous turbulence environment and (iii) application and evaluation of the model in the canonical case of separated non-homogeneous flow field (flow past prismatic bodies and bodies of revolution at high Reynolds number). PANS version of NLEVM shall be derived and implemented in OpenFOAM -an open source solver. Homogeneous flows evaluation will comprise the study of the influence of the PANS’ filter-width control parameter on the turbulent stresses; the homogeneous analysis performed over typical velocity fields and asymptotic analysis of Reynolds stress tensor. Non-homogeneous flow case will include the study of mean integrated quantities and various instantaneous flow field features including wake structures. Performance of PANS + NLEVM shall be compared against the LEVM based PANS and LEVM based RANS. This assessment will contribute to significant improvement of the predictive ability of the computational fluid dynamics (CFD) tools in massively separated turbulent flows past bluff bodies.

Keywords: bridging methods of turbulence, high Re-CFD, non-linear PANS, separated turbulent flows

Procedia PDF Downloads 135