Search results for: molecular dynamic simulation

Authors: Zhijie Li, Wenhui Peng, Zelong Yuan, Jianchun Wang

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Turbulence is a complex phenomenon that plays a crucial role in various fields, such as engineering, atmospheric science, and fluid dynamics. Predicting and understanding its behavior over long time scales have been challenging tasks. Traditional methods, such as large-eddy simulation (LES), have provided valuable insights but are computationally expensive. In the past few years, machine learning methods have experienced rapid development, leading to significant improvements in computational speed. However, ensuring stable and accurate long-term predictions remains a challenging task for these methods. In this study, we introduce the implicit U-net enhanced Fourier neural operator (IU-FNO) as a solution for stable and efficient long-term predictions of the nonlinear dynamics in three-dimensional (3D) turbulence. The IU-FNO model combines implicit re-current Fourier layers to deepen the network and incorporates the U-Net architecture to accurately capture small-scale flow structures. We evaluate the performance of the IU-FNO model through extensive large-eddy simulations of three types of 3D turbulence: forced homogeneous isotropic turbulence (HIT), temporally evolving turbulent mixing layer, and decaying homogeneous isotropic turbulence. The results demonstrate that the IU-FNO model outperforms other FNO-based models, including vanilla FNO, implicit FNO (IFNO), and U-net enhanced FNO (U-FNO), as well as the dynamic Smagorinsky model (DSM), in predicting various turbulence statistics. Specifically, the IU-FNO model exhibits improved accuracy in predicting the velocity spectrum, probability density functions (PDFs) of vorticity and velocity increments, and instantaneous spatial structures of the flow field. Furthermore, the IU-FNO model addresses the stability issues encountered in long-term predictions, which were limitations of previous FNO models. In addition to its superior performance, the IU-FNO model offers faster computational speed compared to traditional large-eddy simulations using the DSM model. It also demonstrates generalization capabilities to higher Taylor-Reynolds numbers and unseen flow regimes, such as decaying turbulence. Overall, the IU-FNO model presents a promising approach for long-term dynamics prediction in 3D turbulence, providing improved accuracy, stability, and computational efficiency compared to existing methods.

Keywords: data-driven, Fourier neural operator, large eddy simulation, fluid dynamics

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Authors: Dejenie Birile Gemeda, Wilhelm Stork

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The power system is one of the most important systems in modern society. The existing power system is approaching the critical operating limits as views of several power system operators. With the increase of load demand, high capacity and long transmission networks are widely used to meet the requirement. With the integration of renewable energies such as wind and solar, the uncertainty, intermittence bring bigger challenges to the operation of power systems. These dynamic uncertainties in the power system lead to power disturbances. The disturbances in a heavily stressed power system cause distance relays to mal-operation or false alarms during post fault power oscillations. This unintended operation of these relays may propagate and trigger cascaded trappings leading to total power system blackout. This is due to relays inability to take an appropriate tripping decision based on ensuing power swing. According to the N-1 criterion, electric power systems are generally designed to withstand a single failure without causing the violation of any operating limit. As a result, some overloaded components such as overhead transmission lines can still work for several hours under overload conditions. However, when a large power swing happens in the power system, the settings of the distance relay of zone 3 may trip the transmission line with a short time delay, and they will be acting so quickly that the system operator has no time to respond and stop the cascading. Misfiring of relays in absence of fault due to power swing may have a significant loss in economic performance, thus a loss in revenue for power companies. This research paper proposes a method to distinguish stable power swing from unstable using dynamic line rating (DLR) in response to power swing or disturbances. As opposed to static line rating (SLR), dynamic line rating support effective mitigation actions against propagating cascading outages in a power grid. Effective utilization of existing transmission lines capacity using machine learning DLR predictions will improve the operating point of distance relay protection, thus reducing unintended power outages due to power swing.

Keywords: blackout, cascading outages, dynamic line rating, power swing, overhead transmission lines

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Authors: Guanlin Wu, Jiajia Yao, Fang Liu, Junshuai Xue, Jincheng Zhang, Yue Hao

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Owing to the excellent thermal conductivity and ultra-wide bandgap, Aluminum nitride (AlN)/Gallium nitride (GaN) is a highly promising material to achieve high breakdown voltage and output power devices among III-nitrides. In this study, we explore the growth and characterization of polarization-induced AlN/GaN heterostructures using plasma-assisted molecular beam epitaxy (PA-MBE) on AlN-on-sapphire templates. To improve the crystal quality and demonstrate the effectiveness of the PA-MBE approach, a thick AlN buffer of 180 nm was first grown on the AlN-on sapphire template. This buffer acts as a back-barrier to enhance the breakdown characteristic and isolate leakage paths that exist in the interface between the AlN epilayer and the AlN template. A root-mean-square roughness of 0.2 nm over a scanned area of 2×2 µm2 was measured by atomic force microscopy (AFM), and the full-width at half-maximum of (002) and (102) planes on the X-ray rocking curve was 101 and 206 arcsec, respectively, using by high-resolution X-ray diffraction (HR-XRD). The electron mobility of 443 cm2/Vs with a carrier concentration of 2.50×1013 cm-2 at room temperature was achieved in the AlN/GaN heterostructures by using a polarization-induced GaN channel. The low depletion capacitance of 15 pF is resolved by the capacitance-voltage. These results indicate that the polarization-induced AlN/GaN heterostructures have great potential for next-generation high-temperature, high-frequency, and high-power electronics.

Keywords: AlN, GaN, MBE, heterostructures

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Authors: L. Heidari, M. Jalili Ghazizade

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In recent years, different petrochemical complexes have been established to produce aromatic compounds. Among them, Nouri Petrochemical Complex (NPC) is the largest producer of aromatic raw materials in the world, and is located in south of Iran. Environmental concerns have been raised in this region due to generation of different types of solid waste generated in the process of aromatics production, and subsequently, industrial waste characterization has been thoroughly considered. The aim of this study is qualitative and quantitative characterization of industrial waste generated in the aromatics production process and determination of the best method for industrial waste management. For this purpose, all generated industrial waste during the production process was determined using a checklist. Four main industrial wastes were identified as follows: spent industrial soil, spent catalyst, spent molecular sieves and spent N-formyl morpholine (NFM) solvent. The amount of heavy metals and organic compounds in these wastes were further measured in order to identify the nature and toxicity of such a dangerous compound. Then industrial wastes were classified based on lab analysis results as well as using different international lists of hazardous waste identification such as EPA, UNEP and Basel Convention. Finally, the best method of waste disposal is selected based on environmental, economic and technical aspects. 

Keywords: aromatic compounds, industrial soil, molecular sieve, normal formyl morpholine solvent

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Authors: Ana Rahma Yuniarti, Ki Moo Lim

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Slowed myocardial conduction velocity (CV) and shortened action potential duration (APD) due to some reason are associated with an increased risk of re-entrant excitation, predisposing to cardiac arrhythmia. That is because both of CV reduction and APD shortening induces shortening of wavelength. In this study, we investigated quantitatively the cardiac mechanical responses under various CV and APD using multi-scale computational model of the heart. The model consisted of electrical model coupled with the mechanical contraction model together with a lumped model of the circulatory system. The electrical model consisted of 149.344 numbers of nodes and 183.993 numbers of elements of tetrahedral mesh, whereas the mechanical model consisted of 356 numbers of nodes and 172 numbers of elements of hexahedral mesh with hermite basis. We performed the electrical simulation with two scenarios: 1) by varying the CV values with constant APD and 2) by varying the APD values with constant CV. Then, we compared the electrical and mechanical responses for both scenarios. Our simulation showed that faster CV and longer APD induced largest resultants wavelength and generated better cardiac pumping efficacy by increasing the cardiac output and consuming less energy. This is due to the long wave propagation and faster conduction generated more synchronous contraction of whole ventricle.

Keywords: conduction velocity, action potential duration, mechanical contraction model, circulatory model

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Authors: Sadman Durlov, Aditya Ganesh-Ram, Hamidreza Hekmatjou, Md Najmus Salehin, Nora Shayesteh Ameri

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In the field of additive manufacturing, tungsten stands out for its exceptional resistance to high temperatures, making it an ideal candidate for use in extreme conditions. However, its inherent brittleness and vulnerability to thermal cracking pose significant challenges to its manufacturability. This study explores the microstructural evolution of tungsten processed through layer-wise rolling in laser powder bed fusion additive manufacturing, utilizing a comprehensive approach that combines advanced simulation techniques with empirical research. We aim to uncover the complex processes of plastic deformation and microstructural transformations, with a particular focus on the dynamics of grain size, boundary evolution, and phase distribution. Our methodology employs a combination of simulation and experimental data, allowing for a detailed comparison that elucidates the key mechanisms influencing microstructural alterations during the rolling process. This approach facilitates a deeper understanding of the material's behavior under additive manufacturing conditions, specifically in terms of deformation and recrystallization. The insights derived from this research not only deepen our theoretical knowledge but also provide actionable strategies for refining manufacturing parameters to improve the tungsten components' mechanical properties and functional performance. By integrating simulation with practical experimentation, this study significantly enhances the field of materials science, offering a robust framework for the development of durable materials suited for challenging operational environments. Our findings pave the way for optimizing additive manufacturing techniques and expanding the use of tungsten across various demanding sectors.

Keywords: additive manufacturing, layer wise rolling, refractory materials, in-situ microstructure modifications

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Authors: Yenesew Mengiste Yihun, Abraham Mehari Haile, Teklu Erkossa, Bart Schultz

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Teff (Eragrostic tef) is a staple food in Ethiopia. The local and international demand for the crop is ever increasing pushing the current price five times compared with that in 2006. To meet this escalating demand increasing production including using irrigation is imperative. Optimum application of irrigation water, especially in semi-arid areas is profoundly important. AquaCrop model application in irrigation water scheduling and simulation of water productivity helps both irrigation planners and agricultural water managers. This paper presents simulation and evaluation of AquaCrop model in optimizing the yield and biomass response to variation in timing and rate of irrigation water application. Canopy expansion, canopy senescence and harvest index are the key physiological processes sensitive to water stress. For full irrigation water application treatment there was a strong relationship between the measured and simulated canopy and biomass with r2 and d values of 0.87 and 0.96 for canopy and 0.97 and 0.74 for biomass, respectively. However, the model under estimated the simulated yield and biomass for higher water stress level. For treatment receiving full irrigation the harvest index value obtained were 29%. The harvest index value shows generally a decreasing trend under water stress condition. AquaCrop model calibration and validation using the dry season field experiments of 2010/2011 and 2011/2012 shows that AquaCrop adequately simulated the yield response to different irrigation water scenarios. We conclude that the AquaCrop model can be used in irrigation water scheduling and optimizing water productivity of Teff grown under water scarce semi-arid conditions.

Keywords: AquaCrop, climate smart agriculture, simulation, teff, water security, water stress regions

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Authors: N. P. Patidar, J. Earnest, Laxmikant Nagar, Akshay Sharma

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This paper describes the diligence of a new input signal based fuzzy power system stabilizer in multi-machine power system. Instead of conventional input pairs like speed deviation (∆ω) and derivative of speed deviation i.e. acceleration (∆ω ̇) or speed deviation and accelerating power deviation of each machine, in this paper, deviation of active power through the tie line colligating two areas is used as one of the inputs to the fuzzy logic controller in concurrence with the speed deviation. Fuzzy Logic has the features of simple concept, easy effectuation, and computationally efficient. The advantage of this input is that, the same signal can be fed to each of the fuzzy logic controller connected with each machine. The simulated system comprises of two fully symmetrical areas coupled together by two 230 kV lines. Each area is equipped with two superposable generators rated 20 kV/900MVA and area-1 is exporting 413 MW to area-2. The effectiveness of the proposed control scheme has been assessed by performing small signal stability assessment and transient stability assessment. The proposed control scheme has been compared with a conventional PSS. Digital simulation is used to demonstrate the performance of fuzzy logic controller.

Keywords: Power System Stabilizer (PSS), small signal stability, inter-area oscillation, fuzzy logic controller, membership function, rule base

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Authors: Nitish Sharma, G. G. Karady

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This paper presents a scheme for the protection of loop system from all type of faults using the direction of fault current. The presence of distributed generation in today’s system increases the complexity of fault detection as the power flow is bidirectional. Hence, protection scheme specific to this purpose needs to be developed. This paper shows a fast protection scheme using communication which can be fiber optic or wireless. In this paper, the possibility of wireless communication for protection is studied to exchange the information between the relays. The negative sequence and positive sequence directional elements are used to determine the direction of fault current. A PSCAD simulation is presented and validated using commercial SEL relays.

Keywords: smart grid protection, pilot protection, power system simulation, wireless communication

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Authors: Melkamu A. Zeru, Aweke A. Mitiku, Endashaw Amuka

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Background: Under-five mortality is the likelihood that a baby will pass away before turning exactly 5 years old, represented as a percentage per 1,000 live births. Exploring the spatial distribution and identifying the temporal pattern is important to reducing under-five child mortality globally, including in Ethiopia. Thus, this study aimed to identify the risk factors of under-five mortality and the spatiotemporal variation in Ethiopian administrative zones. Method: This study used the 2000-2016 Ethiopian Demographic and Health Survey (EDHS) data, which were collected using a two-stage sampling method. A total of 43,029 (10,873 in 2000, 9,861 in 2005, 11,654 in 2011, and 10,641 in 2016) weighted sample under-five child mortality was used. The space-time dynamic model was employed to account for spatial and time effects in 65 administrative zones in Ethiopia. Results: From the result of a general nesting spatial-temporal dynamic model, there was a significant space-time interaction effect [γ = -0.1444, 95 % CI (-0.6680, -0.1355)] for under-five mortality. The increase in the percentages of mothers illiteracy [𝛽 = 0.4501, 95% CI (0.2442, 0.6559)], not vaccinated[𝛽= 0.7681, 95% CI (0.5683, 0.9678)], unimproved water[𝛽= 0.5801, CI (0.3793, 0.7808)] were increased death rates for under five children while increased percentage of contraceptive use [𝛽= -0.6609, 95% CI (-0.8636, -0.4582)] and ANC visit > 4 times [𝛽= -0.1585, 95% CI(-0.1812, -0.1357)] were contributed to the decreased under-five mortality rate at the zone in Ethiopia. Conclusions: Even though the mortality rate for children under five has decreased over time, still there is still higher in different zones of Ethiopia. There exists spatial and temporal variation in under-five mortality among zones. Therefore, it is very important to consider spatial neighbourhoods and temporal context when aiming to avoid under-five mortality.

Keywords: under-five children mortality, space-time dynamic, spatiotemporal, Ethiopia

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Authors: Wei Zhao, Yuxuan Yao, Hao Chen

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In order to find out the mechanical properties and failure behavior of lithium-ion batteries, drop hammer impact experiments and finite element simulations are carried out on batteries with different packed angles. Firstly, a drop hammer impact experiment system, which is based on the DHR-1808 drop hammer and oscilloscope, is established, and then a drop test of individual batteries and packed angles of 180 ° and 120 ° are carried out. The image of battery deformation, force-time curve and voltage-time curve are recorded. Secondly, finite element models of individual batteries and two packed angles are established, and the results of the test and simulation are compared. Finally, the mechanical characteristics and failure behavior of lithium-ion battery modules with the packed arrangement of 6 * 6 and packing angles of 180 °, 120 °, 90 ° and 60 ° are analyzed under the same velocity with different battery packing angles, and the same impact energy with different impact velocity and different packing angles. The result shows that the individual battery is destroyed completely in the drop hammer impact test with an initial impact velocity of 3m/s and drop height of 459mm, and the voltage drops to close to 0V when the test ends. The voltage drops to 12V when packed angle of 180°, and 3.6V when packed angle of 120°. It is found that the trend of the force-time curve between simulation and experiment is generally consistent. The difference in maximum peak value is 3.9kN for a packing angle of 180° and 1.3kN for a packing angle of 120°. Under the same impact velocity and impact energy, the strain rate of the battery module with a packing angle of 180° is the lowest, and the maximum stress can reach 26.7MPa with no battery short-circuited. The research under our experiment and simulation shows that the lithium-ion battery module with a packing angle of 180 ° is the least likely to be damaged, which can sustain the maximum stress under the same impact load.

Keywords: battery module, finite element simulation, power battery, packing angle

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Authors: Jae Moon Lee

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Generally the predator will continuously aim to attack the prey, while the prey will maintain a safe distance from the predator in order to avoid it . If the predator has enough energy to chase a certain amount of distance, it will begin to attack the prey. The prey needs to approach the predator for various reasons such as getting food. However, it will also try to keep a safe distance because of the threat of predators. The safe distance is dependent on the amount of the energy of predator, and the behaviors of prey is changed according to the size of the safe distance. This paper is to simulate the behaviors of preys to avoid the pursuit of predator based on the safe distance. The simulations will be executed experimentally under single predator and multiple preys. The results of the simulations show that the amount of energy of predator gives a great influence on the behavior of the prey.

Keywords: predator, prey, energy, safe distance, simulation

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Authors: Srinivasan Chandrasekaran, Manda Hari Venkata Ramachandra Rao

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Increase in the oil and gas exploration in ultra deep-water demands an adaptive structural form of the platform. Triceratops has superior motion characteristics compared to that of the Tension Leg Platform and Single Point Anchor Reservoir platforms, which is well established in the literature. Buoyant legs that support the deck are position-restrained to the sea bed using tethers with high axial pretension. Environmental forces that act on the platform induce dynamic tension variations in the tethers, causing the failure of tethers. The present study investigates the dynamic response behavior of the restraining system of the platform under the failure of a single tether of each buoyant leg in high sea states. Using the rain-flow counting algorithm and the Goodman diagram, fatigue damage caused to the tethers is estimated, and the fatigue life is predicted. Results shows that under failure conditions, the fatigue life of the remaining tethers is quite alarmingly low.

Keywords: fatigue life, pm spectrum, rain flow counting, triceratops, failure analysis

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Authors: Kodo Sektani, Apostolos Tsouvalas, Andrei Metrikine

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The reassessment of existing movable bridges in The Netherlands has created the need for acceptance/rejection criteria to assess whether the machineries are meet certain design demands. However, the existing design code defines a different limit state design, meant for new machineries which is based on a simple linear spring-mass model. Observations show that existing bridges do not confirm the model predictions. In fact, movable bridges are nonlinear systems consisting of mechanical components, such as, gears, electric motors and brakes. Next to that, each movable bridge is characterized by a unique set of parameters. However, in the existing code various variables that describe the physical characteristics of the bridge are neglected or replaced by partial factors. For instance, the damping ratio ζ, which is different for drawbridges compared to bascule bridges, is taken as a constant for all bridge types. In this paper, a model is developed that overcomes some of the limitations of existing modelling approaches to capture the dynamics of the powertrain of a class of bridge machineries First, a semidefinite dynamic model is proposed, which accounts for stiffness, damping, and some additional variables of the physical system, which are neglected by the code, such as nonlinear braking torques. The model gives an upper bound of the peak forces/torques occurring in the powertrain during emergency braking. Second, a discrete nonlinear dynamic model is discussed, with realistic motor torque characteristics during normal operation. This model succeeds to accurately predict the full time history of the occurred stress state of the opening and closing cycle for fatigue purposes.

Keywords: Dynamics of movable bridges, Bridge machinery, Powertrains, Torque measurements

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Authors: Li Zhu, Binghua Wang, Yong Sun

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China is experiencing the rural development process, with the agritourism complex becoming one of the significant modes. Therefore, it is imperative to understand the energy performance of agritourism complex. This study focuses on a typical case of the agritourism complex and simulates the energy consumption performance on condition of the regular energy system. It was found that HVAC took 90% of the whole energy demand range. In order to optimize the energy supply structure, the hierarchical analysis was carried out on the level of architecture with three main factors such as construction situation, building types and energy demand types. Finally, the energy planning suggestion of the agritourism complex was put forward and the relevant results were obtained.

Keywords: agritourism complex, energy planning, energy demand simulation, hierarchical structure model

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Authors: Liu-Chao Qiu

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The damage caused by surge waves generated in water bodies by flow-like landslides can be very high in terms of human lives and economic losses. The complicated phenomena occurred in this highly unsteady process are difficult to model because three interacting phases: air, water and sediment are involved. The problem therefore is challenging since the effects of non-Newtonian fluid describing the rheology of the flow-like landslides, multi-phase flow and free surface have to be included in the simulation. In this work, the commercial computational fluid dynamics (CFD) package FLUENT is used to model the surge waves due to flow-like landslides. The comparison between the numerical results and experimental data reported in the literature confirms the accuracy of the method.

Keywords: flow-like landslide, surge wave, VOF, non-Newtonian fluids, multi-phase flows, free surface flow

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Authors: Takahiro Ishizaki, Shutaro Hisada, Oi Lun Li

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Control of surface wettability is very important in various industrial fields. Thus, contact angle hysteresis which is defined as the difference between advancing and receding water contact angles has been paid attention because the surface having low contact angle hysteresis can control wetting behavior of water droplet. Self-assembled monolayer (SAM) formed using organic silane molecules has been used to control surface wettability, in particular, static contact angles, however, the effect of alkyl-chain length in organic silane molecules on the contact angle hysteresis has not yet clarified. In this study, we aimed to investigate the effect of alkyl-chain length (C1-C18) in organic silane molecules on the contact angle hysteresis. SAMs were formed on Si wafer by thermal CVD method using silane coupling agents having different alkyl-chain length. The static water contact angles increased with an increase in the alkyl-chain length. On the other hand, although the water contact angle hysteresis tended to decrease with an increase in the alkyl-chain length, in case of the alkyl-chain length of more than C16 the contact angle hysteresis increased. This could be due to the decrease in the molecular mobility because of the increase in the molecular packing density in chemisorbed silane molecules.

Keywords: alkyl-chain length, self-assembled monolayer, silane coupling agent, surface wettability

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Authors: Saad Bin Saeed, Fayzan Ahmed, Shahbaz Ahmed, Amjad Hussain

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The aim of this study is to evaluate dynamic log files (Dynalogs) at different dose rates by dose-volume histograms (DVH) and used as a (QA) procedure of IMRT. Seven patients of phase one head and neck cancer with similar OAR`s are selected randomly. Reference plans of dose rate 300 and 600 MU/Min with prescribed dose of 50Gy in 25 fractions for each patient is made. Dynalogs produced by delivery of reference plans processed by in-house MATLAB program which produces new field files contain actual positions of multi-leaf collimators (MLC`s) instead of planned positions in reference plans. Copies of reference plans are used to import new field files generated by MATLAB program and renamed as Dyn.plan. After dose calculations of Dyn.plans for different dose rates, DVH, and multiple linear regression tools are used to evaluate reference and Dyn.plans. The results indicate good agreement of correlation between different dose rate plans. The maximum dose difference among PTV and OAR`s are found to be less than 5% and 9% respectively. The study indicates the potential of dynalogs to be used as patient-specific QA of IMRT at different dose rate.

Keywords: IMRT, dynalogs, dose rate, DVH

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Authors: Faijal Ali, Darga Kumar N., Ravikant Singh, Rajnil Lal

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Fiji has three major landforms such as plains, low mountains, and hills. The low land soils are formed on beach sand. Fiji soils contain high concentration of iron (III), aluminum oxides and hydroxides. The soil possesses reddish or yellowish colour. The characterization of lateritic soils collected from different locations along the national highway in Viti Levu, Fiji Islands. The research has been carried out mainly to understand the physical and strength properties to assess their suitability for the highway and building construction. In this paper, the field tests such as dynamic cone penetrometer test, field vane shear, field density and laboratory tests such as unconfined compression stress, compaction, grain size analysis and Atterberg limits are conducted. The test results are analyzed and presented. From the results, it is revealed that the soils are having more percentage of silt and clay which is more than 80% and 5 to 15% of fine to medium sand is noticed. The dynamic cone penetrometer results up to 3m depth had similar penetration resistance. For the first 1m depth, the rate of penetration is found 300mm per 3 to 4 blows. In all the sites it is further noticed that the rate of penetration at depths beyond 1.5 m is decreasing for the same number of blows as compared to the top soil. From the penetration resistance measured through dynamic cone penetrometer test, the California bearing ratio and allowable bearing capacities are 4 to 5% and 50 to 100 kPa for the top 1m layer and below 1m these values are increasing. The California bearing ratio of these soils for below 1m depth is in the order of 10% to 20%. The safe bearing capacity of these soils below 1m and up to 3m depth is varying from 150 kPa to 250 kPa. The field vane shear was measured within a depth of 1m from the surface and the values were almost similar varying from 60 kPa to 120 kPa. The liquid limit and plastic limits of these soils are in the range of 40 to 60% and 20 to 25%. Overall it is found that the top 1m soil along the national highway in majority places possess a soft to medium stiff behavior with low to medium bearing capacity as well low California bearing ratio values. It is recommended to ascertain these soils behavior in terms of geotechnical parameters before taking up any construction activity.

Keywords: California bearing ratio, dynamic cone penetrometer test, field vane shear, unconfined compression stress.

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Authors: M. Ali Lotfollahi Yaghin, M. Reza Bagerzadeh Karimi, Ali Rahmani, V. Sadeghi Balkanlou

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Structural engineers have long been trying to develop solutions using the full potential of its composing materials. Therefore, there is no doubt that the structural solution progress is directly related to an increase in materials science knowledge. These efforts in conjunction with up-to-date modern construction techniques have led to an extensive use of composite floors in large span structures. On the other hand, the competitive trends of the world market have long been forcing structural engineers to develop minimum weight and labour cost solutions. A direct consequence of this new design trend is a considerable increase in problems related to unwanted floor vibrations. For this reason, the structural floors systems become vulnerable to excessive vibrations produced by impacts such as human rhythmic activities. The main objective of this paper is to present an analysis methodology for the evaluation of the composite floors human comfort. This procedure takes into account a more realistic loading model developed to incorporate the dynamic effects induced by human walking. The investigated structural models were based on various composite floors, with main spans varying from 5 to 10 m. based on an extensive parametric study the composite floors dynamic response, in terms of peak accelerations, was obtained and compared to the limiting values proposed by several authors and design standards. This strategy was adopted to provide a more realistic evaluation for this type of structure when subjected to vibration due to human walking.

Keywords: vibration, resonance, composite floors, people’s rhythmic movement, dynamic analysis, Abaqus software

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Authors: Amanda C. Evans

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Enabling technologies such as continuous processing (CP) approaches can provide the tools needed to control and manipulate reactivities and transform chemical reactions into micro-controlled in-flow processes. Traditional synthetic approaches can be radically transformed by the application of CP, facilitating the pairing of chemical methodologies with technologies from other disciplines. CP supports sustainable processes that controllably generate reaction specificity utilizing supramolecular interactions. Continuous photochemical processing is an emerging field of investigation. The use of light to drive chemical reactivity is not novel, but the controlled use of specific and tunable wavelengths of light to selectively generate molecular structure under continuous processing conditions is an innovative approach towards chemical synthesis. This investigation focuses on the use of circularly polarized (cp) light as a sustainable catalyst for the CP generation of asymmetric molecules. Chiral photolysis has already been achieved under batch, solid-phase conditions: using synchrotron-sourced cp light, asymmetric photolytic selectivities of up to 4.2% enantiomeric excess (e.e.) have been reported. In order to determine the optimal wavelengths to use for irradiation with cp light for any given molecular building block, CD and anisotropy spectra for each building block of interest have been generated in two different solvents (water, hexafluoroisopropanol) across a range of wavelengths (130-400 nm). These spectra are being used to support a series of CP experiments using cp light to generate enantioselectivity.

Keywords: anisotropy, asymmetry, flow chemistry, active pharmaceutical ingredients

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Authors: N. K. Mohd Affendi, T. A. R. Tuan Abdullah, S. A. Syed Mustaffa

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In power industry transformer is an important component and most of us familiar by the functioning principle of a transformer electrically. There are many losses occur during the operation of a transformer that causes heat generation. This heat, if not dissipated properly will reduce the lifetime and effectiveness of the transformer. Transformer cooling helps in maintaining the temperature rise of various paths. This paper proposed to minimize the ambient temperature of the transformer room in order to lower down the temperature of the transformer. A simulation has been made using finite element methods programs called FEMM (Finite Elements Method Magnetics) to create a virtual model based on actual measurement of a transformer. The generalization of the two-dimensional (2D) FEMM results proves that by minimizing the ambient temperature, the heat of the transformer is decreased. The modeling process and of the transformer heat flow has been presented.

Keywords: heat generation, temperature rise, ambient temperature, FEMM

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Authors: Mohammed Ali

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A flexible manufacturing system has been studied under different manufacturing strategies. The aim of this paper is to test the impact of number of pallets and routing flexibility (design strategy) on system performance operating at different sequencing and dispatching rules (control strategies) at unbalanced load condition (planning strategies). A computer simulation model is developed to evaluate the effects of aforementioned strategies on the make-span time, which is taken as the system performance measure. The impact of number of pallets is shown with the different levels of routing flexibility. In this paper, the same manufacturing system is modeled under different combination of sequencing and dispatching rules. The result of the simulation shows that there is definite range of pallets for each level of routing flexibility at which the systems performs satisfactorily.

Keywords: flexible manufacturing system, manufacturing, strategy, makespan

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Authors: Mehdi Habibnia Rami, Shidvash Vakilipour, Mohammad H. Sabour, Rouzbeh Riazi, Hossein Hassannia

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This paper deals with the steady and unsteady flow behavior on the separation bubble occurring on the rear portion of the suction side of T106A blade. The first phase was to implement the steady condition capturing the separation bubble. To accurately predict the separated region, the effects of three different turbulence models and computational grids were separately investigated. The results of Large Eddy Simulation (LES) model on the finest grid structure are acceptably in a good agreement with its relevant experimental results. The second phase is mainly to address the effects of wake entrance on bubble disappearance in unsteady situation. In the current simulations, from what was suggested in an experiment, simulating the flow unsteadiness, with concentrations on small scale disturbances instead of simulating a complete oncoming wake, is the key issue. Subsequently, the results from the current strategy to apply the effects of the wake and two other experimental work were compared to be in a good agreement. Between the two experiments, one of them deals with wake passing unsteady flow, and the other one implements experimentally the same approach as the current Computational Fluid Dynamics (CFD) simulation.

Keywords: low-pressure turbine cascade, large-Eddy simulation (LES), RANS turbulence models, unsteady flow measurements, flow separation

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Authors: Hanan Mikhael Dawood, Haider Salim, Jafar Al-Wash

Abstract:

This paper presents Proportional-Integral (PI) controller to improve the system performance which gives better torque and flux response. In addition, it reduces the undesirable torque ripple. The conventional DTC controller approach for induction machines, based on an improved torque and stator flux estimator, is implemented using Xilinx System Generator (XSG) for MATLAB/Simulink environment through Xilinx blocksets. The design was achieved in VHDL which is based on a MATLAB/Simulink simulation model. The hardware in the loop results are obtained considering the implementation of the proposed model on the Xilinx NEXYS2 Spartan 3E1200 FG320 Kit.

Keywords: induction motor, Direct Torque Control (DTC), Xilinx FPGA, motor drive

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Authors: Harish Ramesh Babu, Marco Böcker, Mario Raddatz, Sebastian Henkel, Horst Biermann, Uwe Gampe

Abstract:

Thermal power machines are subjected to cyclic loading conditions under elevated temperatures. At these extreme conditions, the durability of the components has a significant influence. The material mechanical behaviour has to be known in detail for a failsafe construction. For this study a nickel-based alloy is considered, the deformation and fatigue behaviour of the material is analysed under cyclic loading. A viscoplastic model is used for calculating the deformation behaviour as well as to simulate the rate-dependent and cyclic plasticity effects. Finally, the cyclic deformation results of the finite element simulations are compared with low cycle fatigue (LCF) experiments.

Keywords: complex low cycle fatigue, elevated temperature, fe-simulation, viscoplastic

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Authors: S. Nasri, H. Bouziri

Abstract:

Disasters are quite experienced in our days. They are caused by floods, landslides, and building fires that is the main objective of this study. To cope with these unexpected events, precautions must be taken to protect human lives. The emphasis on disposal work focuses on the resolution of the evacuation problem in case of no-notice disaster. The problem of evacuation is listed as a dynamic network flow problem. Particularly, we model the evacuation problem as an earliest arrival flow problem with load dependent transit time. This problem is classified as NP-Hard. Our challenge here is to propose a metaheuristic solution for solving the evacuation problem. We define our objective as the maximization of evacuees during earliest periods of a time horizon T. The objective provides the evacuation of persons as soon as possible. We performed an experimental study on emergency evacuation from the tunisian children’s hospital. This work prompts us to look for evacuation plans corresponding to several situations where the network dynamically changes.

Keywords: dynamic network flow, load dependent transit time, evacuation strategy, earliest arrival flow problem, tabu search metaheuristic

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Authors: Asmaa M. Fahim

Abstract:

In this elucidation, we synthesized different heterocyclic compounds attached to Benzene sulfonamide moiety via (E)-N-(4-(3-(4-bromophenyl)acryloyl)phenyl)-4-methyl benzene sulfonamide which is obtained from Nucleophilic substitution reaction between 4-methylbenzene sulfonyl chloride and 1-(4-aminophenyl)ethan-1-one in pyridine to get N-(4-acetyl phenyl)-4-methyl benzenesulfonamide which reacted 4-bromobenzal dehyde undergoes aldol condensation in NaOH to afford the corresponding chalchone 4. Moreover, the reactivity of chalchone 4 showed several active methylene derivatives utilized the pressurized microwave irradiation as a green energy resource. Chalcone 4 was allowed to react with ethyl cyanoacetate and acetylacetone, respectively, at 70 °C with pressure under microwave reaction condition to afford the 5-cyano-6-oxo-1,2,5,6-tetrahydropyridin-2-yl)-4-methylbenzenesulfonamide 6 and N-(4'-acetyl-4''-bromo-5'-oxo-2',3',4',5'-tetrahydro-[1,1':3',1''-terphenyl]-4-yl)-4-methylbenzenesulfonamide 8 derivatives. Moreover, the reactivity of this sulphonamide chalchone with NH2NH2 in EtOH and acetic acid, which gave 2,5-dihydro-1H-imidazol-4-yl)-4-methyl benzenesulfonamide, 1H-pyrazol-3-yl)-4-methyl and reactivity with NH2OH.HCl gave isoxazol-3-yl)-4-methylbenzenesulfonamide derivatives. The synthesized compounds were screened for their ADME properties and directed to antitumor activity on HepG2 hepatocellular carcinoma and MCF-7 breast cancer and exhibited excellent behavior against standard drugs; these results were confirmed through molecular simulations with different proteins. Additionally, the Density Functional Theory analysis of optimized structures investigated their physical descriptors, FMO, ESP and MEP, which correlated with biological evaluation.

Keywords: synthesis, green chemistry, antitumor activity, DFT study

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Authors: Sushil Kumar Singh, Ashok Kumar, Ankit Ganeshpurkar, Ravi Singh, Devendra Kumar

Abstract:

In spectrum of neurodegenerative diseases, Alzheimer’s disease (AD) is characterized by the presence of amyloid β plaques and neurofibrillary tangles in the brain. It results in cognitive and memory impairment due to loss of cholinergic neurons, which is considered to be one of the contributing factors. Donepezil, an acetylcholinesterase (AChE) inhibitor which also inhibits butyrylcholinesterase (BuChE) and improves the memory and brain’s cognitive functions, is the most successful and prescribed drug to treat the symptoms of AD. The present work is based on designing of the selective BuChE inhibitors using computational techniques. In this work, machine learning models were trained using classification algorithms followed by screening of diverse chemical library of compounds. The various molecular modelling and simulation techniques were used to obtain the virtual hits. The amide derivatives of 4-(phenylsulfonamido) benzoic acid were synthesized and characterized using 1H & 13C NMR, FTIR and mass spectrometry. The enzyme inhibition assays were performed on equine plasma BuChE and electric eel’s AChE by method developed by Ellman et al. Compounds 31, 34, 37, 42, 49, 52 and 54 were found to be active against equine BuChE. N-(2-chlorophenyl)-4-(phenylsulfonamido)benzamide and N-(2-bromophenyl)-4-(phenylsulfonamido)benzamide (compounds 34 and 37) displayed IC50 of 61.32 ± 7.21 and 42.64 ± 2.17 nM against equine plasma BuChE. Ortho-substituted derivatives were more active against BuChE. Further, the ortho-halogen and ortho-alkyl substituted derivatives were found to be most active among all with minimal AChE inhibition. The compounds were selective toward BuChE.

Keywords: Alzheimer disease, butyrylcholinesterase, machine learning, sulfonamides

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Authors: Ramiz Kuliev, Fuad Kuliev-Smirnov

Abstract:

The 'Shadow Sparring' training exercise is widely used in the training of boxers and martial artists. The main disadvantage of the usual shadow sparring is that the trainer cannot fully control such training and evaluate its results. During the competition, the athlete, preparing for the upcoming fight, imagines the Shadow (upcoming opponent) in accordance with his own imagination. A ‘Smart-Shadow Sparring’ (SSS) is an innovative version of the ‘Shadow Sparring’. During SSS, the fighter will see the Shadow (virtual opponent that moves, defends, and punches) and understand when he misses the punches from the Shadow. The task of a real athlete is to spar with a virtual one, move around, punch in the direction of unprotected areas of the Shadow and dodge his punches. Moves and punches of Shadow are set up before each training. The system will give the coach full information about virtual sparring: (i) how many and what type of punches has the fighter landed, (ii) accuracy of these punches, (iii) how many and what type of virtual punches (punches of Smart-Shadow) has the fighter missed, etc. SSS will be recorded as animated fighting of two fighters and will help the coach to analyze past training. SSS can be configured to fit the physical and technical characteristics of the next real opponent (size, techniques, speed, missed and landed punches, etc.). This will allow to simulate and rehearse the upcoming fight and improve readiness for the next opponent. For amateur fighters, SSS will be reconfigured several times during a tournament, when the real opponent becomes known. SSS can be used in three versions: (1) Digital Shadow: the athlete will see a Shadow on a monitor (2) VR-Shadow: the athlete will see a Shadow in a VR-glasses (3) Smart Shadow: a Shadow will be controlled by artificial intelligence. These technologies are based on the ‘semi-real simulation’ method. The technology allows coaches to train athletes remotely. Simulation of different opponents will help the athletes better prepare for competition. Repeat rehearsals of the upcoming fight will help improve results. SSS can improve results in Boxing, Taekwondo, Karate, and Fencing. 41 sets of medals will be awarded in these sports at the 2020 Olympic Games.

Keywords: boxing, combat sports, fight simulation, shadow sparring

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