Search results for: molecular dynamic simulation

Authors: Abir Yahya, Hacen Dhahri, Khalifa Slimi

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The present paper deals with a numerical simulation of temperature field inside a solid oxide fuel cell (SOFC) components. The temperature distribution is investigated using a co-flow planar SOFC comprising the air and fuel channel and two-ceramic electrodes, anode and cathode, separated by a dense ceramic electrolyte. The Lattice Boltzmann method (LBM) is used for the numerical simulation of the physical problem. The effects of inlet temperature, anode thermal conductivity and current density on temperature distribution are discussed. It was found that temperature distribution is very sensitive to the inlet temperature and the current density.

Keywords: heat sources, Lattice Boltzmann method, solid oxide fuel cell, temperature

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Authors: Richard Renou, Laurent Soulard

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Lasers are widely used in glass material processing, from waveguide fabrication to channel drilling. The gradual damage of glass optics under UV lasers is also an important issue to be addressed. Glass materials (including metallic glasses) can undergo a permanent densification under laser-induced shock loading. Despite increased interest on interactions between laser and glass materials, little is known about the structural mechanisms involved under shock loading. For example, the densification process in silica glasses occurs between 8 GPa and 30 GPa. Above 30 GPa, the glass material returns to the original density after relaxation. Investigating these unusual mechanisms in silica glass will provide an overall better understanding in glass behaviour. Non-Equilibrium Molecular Dynamics simulations (NEMD) were carried out in order to gain insight on the silica glass microscopic structure under shock loading. The shock was generated by the use of a piston impacting the glass material at high velocity (from 100m/s up to 2km/s). Periodic boundary conditions were used in the directions perpendicular to the shock propagation to model an infinite system. One-dimensional shock propagations were therefore studied. Simulations were performed with the STAMP code developed by the CEA. A very specific structure is observed in a silica glass. Oxygen atoms around Silicon atoms are organized in tetrahedrons. Those tetrahedrons are linked and tend to form rings inside the structure. A significant amount of empty cavities is also observed in glass materials. In order to understand how a shock loading is impacting the overall structure, the tetrahedrons, the rings and the cavities were thoroughly analysed. An elastic behaviour was observed when the shock pressure is below 8 GPa. This is consistent with the Hugoniot Elastic Limit (HEL) of 8.8 GPa estimated experimentally for silica glasses. Behind the shock front, the ring structure and the cavity distribution are impacted. The ring volume is smaller, and most cavities disappear with increasing shock pressure. However, the tetrahedral structure is not affected. The elasticity of the glass structure is therefore related to a ring shrinking and a cavity closing. Above the HEL, the shock pressure is high enough to impact the tetrahedral structure. An increasing number of hexahedrons and octahedrons are formed with the pressure. The large rings break to form smaller ones. The cavities are however not impacted as most cavities are already closed under an elastic shock. After the material relaxation, a significant amount of hexahedrons and octahedrons is still observed, and most of the cavities remain closed. The overall ring distribution after relaxation is similar to the equilibrium distribution. The densification process is therefore related to two structural mechanisms: a change in the coordination of silicon atoms and a cavity closing. To sum up, non-equilibrium molecular dynamics were carried out to investigate silica behaviour under shock loading. Analysing the structure lead to interesting conclusions upon the elastic and the densification mechanisms in glass materials. This work will be completed with a detailed study of the mechanism occurring above 30 GPa, where no sign of densification is observed after the material relaxation.

Keywords: densification, molecular dynamics simulations, shock loading, silica glass

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Authors: Moon Moon Devi, Ran Budnik

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The current large area cosmic ray detector surface arrays typically measure only the net flux and arrival-time of the charged particles produced in an extensive air shower (EAS). Measurement of the individual charged particles at a surface array will provide additional distinguishing parameters to identify the primary and to map the very high energy interactions in the upper layers of the atmosphere. In turn, these may probe anomalies in QCD interactions at energies beyond the reach of current accelerators. The recent attempts of studying the individual muon tracks are limited in their expandability to larger arrays and can only probe primary particles with energy up to about 10^15.5 eV. New developments in detector technology allow for a realistic cost of large area detectors, however with limitations on energy resolutions, directional information, and dynamic range. In this study, we perform a simulation study using CORSIKA to combine the energy spectrum and lateral spread of the muons with the longitudinal depth (Xmax) of an EAS initiated by a primary at ultra high energies (10¹⁶ – 10¹⁹) eV. Using proton and iron as the shower primaries, we show that the muon observables and Xmax together can be used to distinguish the primary. This study can be used to design a future detector for the surface array, which will be able to enhance our knowledge of primaries and QCD interactions.

Keywords: ultra high energy extensive air shower, muon tracking, air shower primaries, QCD interactions

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Authors: Encarnacion Alvarez, Noemı Hidalgo-Rebollo, Juan F. Munoz, Francisco J. Blanco-Encomienda

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Many companies use the technique named as acceptance sampling which consists on the inspection and decision making regarding products. According to the results derived from this method, the company takes the decision of acceptance or rejection of a product. The acceptance sampling can be applied to the technology management, since the acceptance sampling can be seen as a tool to improve the design planning, operation and control of technological products. The theoretical operating characteristic (OC) curves are widely used when dealing with acceptance sampling. In this paper, we carry out Monte Carlo simulation studies to compare numerically the empirical OC curves derived from the empirical results to the customary theoretical OC curves. We analyze various possible scenarios in such a way that the differences between the empirical and theoretical curves can be observed under different situations.

Keywords: single-sampling plan, lot, Monte Carlo simulation, quality control

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Authors: Ajai Singh

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Simulation of hydrological processes at the watershed outlet through modelling approach is essential for proper planning and implementation of appropriate soil conservation measures in Damodar Barakar catchment, Hazaribagh, India where soil erosion is a dominant problem. This study quantifies the parametric uncertainty involved in simulation of stream flow using Soil and Water Assessment Tool (SWAT), a watershed scale model and Radial Basis Neural Network (RBNN), an artificial neural network model. Both the models were calibrated and validated based on measured stream flow and quantification of the uncertainty in SWAT model output was assessed using ‘‘Sequential Uncertainty Fitting Algorithm’’ (SUFI-2). Though both the model predicted satisfactorily, but RBNN model performed better than SWAT with R2 and NSE values of 0.92 and 0.92 during training, and 0.71 and 0.70 during validation period, respectively. Comparison of the results of the two models also indicates a wider prediction interval for the results of the SWAT model. The values of P-factor related to each model shows that the percentage of observed stream flow values bracketed by the 95PPU in the RBNN model as 91% is higher than the P-factor in SWAT as 87%. In other words the RBNN model estimates the stream flow values more accurately and with less uncertainty. It could be stated that RBNN model based on simple input could be used for estimation of monthly stream flow, missing data, and testing the accuracy and performance of other models.

Keywords: SWAT, RBNN, SUFI 2, bootstrap technique, stream flow, simulation

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Authors: Mijoh A. Gbededo, Kapila Liyanage, Sabuj Mallik

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The emerging approaches to sustainable manufacturing are considered to be solution-oriented with the aim of addressing the environmental, economic and social issues holistically. However, the analysis of the interdependencies amongst the three sustainability dimensions has not been fully captured in the literature. In a recent review of approaches to sustainable manufacturing, two categories of techniques are identified: 1) Sustainable Product Development (SPD), and 2) Sustainability Performance Assessment (SPA) techniques. The challenges of the approaches are not only related to the arguments and misconceptions of the relationships between the techniques and sustainable development but also to the inability to capture and integrate the three sustainability dimensions. This requires a clear definition of some of the approaches and a road-map to the development of a holistic approach that supports sustainability decision-making. In this context, eco-innovation, social impact assessment, and life cycle sustainability analysis play an important role. This paper deployed an integrative approach that enabled amalgamation of sustainable manufacturing approaches and the theories of reciprocity and motivation into a holistic simulation-based impact analysis framework. The findings in this research have the potential to guide sustainability analysts to capture the aspects of the three sustainability dimensions into an analytical model. Additionally, the research findings presented can aid the construction of a holistic simulation model of a sustainable manufacturing and support effective decision-making.

Keywords: life cycle sustainability analysis, sustainable manufacturing, sustainability performance assessment, sustainable product development

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Authors: M. Najafi

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In the present paper, a large turbo-generator shaft train including a heavy-duty gas turbine engine, a coupling, and a generator is established. The method of analysis is based on finite element simplified model for lateral and torsional vibration calculation. The basic elements of rotor are the shafts and the disks which are represented as circular cross section flexible beams and rigid body elements, respectively. For more accurate results, the gyroscopic effect and bearing dynamics coefficients and function of rotation are taken into account, and for the influence of shear effect, rotor has been modeled in the form of Timoshenko beam. Lateral critical speeds, critical speed map, damped mode shapes, Campbell diagram, zones of instability, amplitudes, phase angles response due to synchronous forces of excitation and amplification factor are calculated. Also, in the present paper, the effect of imbalanced rotor and effects of changing in internal force and temperature are studied.

Keywords: rotor dynamic analysis, finite element method, shaft train, Campbell diagram

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Authors: Ivana R. Moser, Joao C. Souza

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Building fires are random phenomena that can be extremely violent, and safe evacuation of people is the most guaranteed tactic in saving lives. The correct evacuation of buildings, and other spaces occupied by people, means leaving the place in a short time and by the appropriate way. It depends on the perception of spaces by the individual, the architectural layout and the presence of appropriate routing systems. As historical buildings were constructed in other times, when, as in general, the current security requirements were not available yet, it is necessary to adapt these spaces to make them safe. Computer models of evacuation simulation are widely used tools for assessing the safety of people in a building or agglomeration sites and these are associated with the analysis of human behaviour, makes the results of emergency evacuation more correct and conclusive. The objective of this research is the performance evaluation of historical interest buildings, regarding the safe evacuation of people, through computer simulation, using PTV Viswalk software. The buildings objects of study are the Colégio Catarinense, centennial building, located in the city of Florianópolis, Santa Catarina / Brazil. The software used uses the variables of human behaviour, such as: avoid collision with other pedestrians and avoid obstacles. Scenarios were run on the three-dimensional models and the contribution to safety in risk situations was verified as an alternative measure, especially in the impossibility of applying those measures foreseen by the current fire safety codes in Brazil. The simulations verified the evacuation time in situations of normality and emergency situations, as well as indicate the bottlenecks and critical points of the studied buildings, to seek solutions to prevent and correct these undesirable events. It is understood that adopting an advanced computational performance-based approach promotes greater knowledge of the building and how people behave in these specific environments, in emergency situations.

Keywords: computer simulation, escape routes, fire safety, historic buildings, human behavior

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Authors: Rudzani Manafe, Ezekiel Green

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Brucella, has many different virulence factors that act as a causative agent of brucellosis, depending on the environment and other factors, some factors may play a role more than others during infection and as a result, play a role in becoming a causative agent for pathogenesis. Brucella melitensis and Brucella abortus are considered to be pathogenic to humans. The genetic regularity of nine potential causes of virulence of two Brucella species in Eastern Cape livestock have been examined. A hundred and twenty isolates obtained from Molecular Pathogenesis and Molecular Epidemiology Research Group (MPMERG) were used for this study. All isolates were grown on Brucella agar medium. Nine primer pairs were used for the detection of virB2, virB5, vceC, btpA, btpB, prpA, betB, bpe275, and bspB virulence factors using Polymerase chain reaction (PCR). Approximately 100% was observed for genes BecC and BetB from B. arbotus. While the lowest gene observed was PrpA at 4.6% from B. arbotus. BetB was detected in 34.7%, while virB2 and prpA (0%) were not detected in B. melitensis. The results from this research suggest that most isolates of Brucella have virulence-related genes associated with disease pathogenesis. Finally, our findings showed that Brucella strains in the Eastern Cape Province are extremely virulent as virulence characteristics exist in most strains investigated.

Keywords: putative virulence genes, brucella, polymerase chain reaction, milk

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Authors: Reinhard Neck, Guido Schäfer

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In this paper, we explore the macroeconomic effects of the European Single Market on Austria by simulating the McKibbin-Sachs Global Model. Global interdependence and the impact of long-run effects on short-run adjustments are taken into account. We study the sensitivity of the results with respect to different assumptions concerning monetary and fiscal policies for the countries and regions of the world economy. The consequences of different assumptions about budgetary policies in Austria are also investigated. The simulation results are contrasted with ex-post evaluations of the actual impact of Austria’s membership in the Single Market. As a result, it can be concluded that the Austrian participation in the European Single Market entails considerable long-run gains for the Austrian economy with nearly no adverse side-effects on any macroeconomic target variable.

Keywords: macroeconomics, European Union, simulation, sensitivity analysis

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Authors: Frederick Ferguson, Dehua Feng, Yang Gao

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No doubt, current CFD tools have a great many technical limitations, and active research is being done to overcome these limitations. Current areas of limitations include vortex-dominated flows, separated flows, and turbulent flows. In general, turbulent flows are unsteady solutions to the fluid dynamic equations, and instances of these solutions can be computed directly from the equations. One of the approaches commonly implemented is known as the ‘direct numerical simulation’, DNS. This approach requires a spatial grid that is fine enough to capture the smallest length scale of the turbulent fluid motion. This approach is called the ‘Kolmogorov scale’ model. It is of interest to note that the Kolmogorov scale model must be captured throughout the domain of interest and at a correspondingly small-time step. In typical problems of industrial interest, the ratio of the length scale of the domain to the Kolmogorov length scale is so great that the required grid set becomes prohibitively large. As a result, the available computational resources are usually inadequate for DNS related tasks. At this time in its development, DNS is not applicable to industrial problems. In this research, an attempt is made to develop a numerical technique that is capable of delivering DNS quality solutions at the scale required by the industry. To date, this technique has delivered preliminary results for both steady and unsteady, viscous and inviscid, compressible and incompressible, and for both high and low Reynolds number flow fields that are very accurate. Herein, it is proposed that the Integro-Differential Scheme (IDS) be applied to a set of vortex-shockwave interaction problems with the goal of investigating the nonstationary physics within the resulting interaction regions. In the proposed paper, the IDS formulation and its numerical error capability will be described. Further, the IDS will be used to solve the inviscid and viscous Burgers equation, with the goal of analyzing their solutions over a considerable length of time, thus demonstrating the unsteady capabilities of the IDS. Finally, the IDS will be used to solve a set of fluid dynamic problems related to flow that involves highly vortex interactions. Plans are to solve the following problems: the travelling wave and vortex problems over considerable lengths of time, the normal shockwave–vortex interaction problem for low supersonic conditions and the reflected oblique shock–vortex interaction problem. The IDS solutions obtained in each of these solutions will be explored further in efforts to determine the distributed density gradients and vorticity, as well as the Q-criterion. Parametric studies will be conducted to determine the effects of the Mach number on the intensity of vortex-shockwave interactions.

Keywords: vortex dominated flows, shockwave interactions, high Reynolds number, integro-differential scheme

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Authors: Nicolò Vaiana, Filip C. Filippou, Giorgio Serino

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In order to reduce numerical computations in the nonlinear dynamic analysis of seismically base-isolated structures, a Mixed Explicit-Implicit time integration Method (MEIM) has been proposed. Adopting the explicit conditionally stable central difference method to compute the nonlinear response of the base isolation system, and the implicit unconditionally stable Newmark’s constant average acceleration method to determine the superstructure linear response, the proposed MEIM, which is conditionally stable due to the use of the central difference method, allows to avoid the iterative procedure generally required by conventional monolithic solution approaches within each time step of the analysis. The main aim of this paper is to investigate the stability and computational efficiency of the MEIM when employed to perform the nonlinear time history analysis of base-isolated structures with sliding bearings. Indeed, in this case, the critical time step could become smaller than the one used to define accurately the earthquake excitation due to the very high initial stiffness values of such devices. The numerical results obtained from nonlinear dynamic analyses of a base-isolated structure with a friction pendulum bearing system, performed by using the proposed MEIM, are compared to those obtained adopting a conventional monolithic solution approach, i.e. the implicit unconditionally stable Newmark’s constant acceleration method employed in conjunction with the iterative pseudo-force procedure. According to the numerical results, in the presented numerical application, the MEIM does not have stability problems being the critical time step larger than the ground acceleration one despite of the high initial stiffness of the friction pendulum bearings. In addition, compared to the conventional monolithic solution approach, the proposed algorithm preserves its computational efficiency even when it is adopted to perform the nonlinear dynamic analysis using a smaller time step.

Keywords: base isolation, computational efficiency, mixed explicit-implicit method, partitioned solution approach, stability

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Authors: Yasunori Kobori, Nobukazu Tsukiji, Nobukazu Takai, Haruo Kobayashi

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In this paper, we study a Pulse-WidthModulation (PWM) controlled Zero-Voltage-Switching (ZVS) for single-inductor dual-output (SIDO) converters. This method can meet the industry demands for high efficiency due to ZVS and small size and low cost, thanks to single-inductor per multiple voltages. We show the single inductor single-output (SISO) ZVS buck converter with its operation and simulation and then the experimental results. Next proposed ZVS-PWM controlled SIDO converters are explained in the simulation. Finally we have proposed EMI reduction method with spread spectrum.

Keywords: DC-DC switching converter, zero-oltage switching control, single-inductor dual-output converter, EMI reduction, spread spectrum

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Authors: Mahendra Singh, Narasimhareddy Ravuru

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For the past decade, the production of biodiesel has significantly increased along with its by-product, glycerol. Biodiesel-derived glycerol massive entry into the glycerol market has caused its value to plummet. Newer ways to utilize the glycerol by-product must be implemented or the biodiesel industry will face serious economic problems. The biodiesel industry should consider steam reforming glycerol to produce hydrogen gas. Steam reforming is the most efficient way of producing hydrogen and there is a lot of demand for it in the petroleum and chemical industries. This study investigates the feasibility of glycerol steam reforming in an industrial sized fixed bed reactor. In this paper, using computational fluid dynamic (CFD) simulations, the extent of the transport resistances that would occur in an industrial sized reactor can be visualized. An important parameter in reactor design is the size of the catalyst particle. The size of the catalyst cannot be too large where transport resistances are too high, but also not too small where an extraordinary amount of pressure drop occurs. The goal of this paper is to find the best catalyst size under various flow rates that will result in the highest conversion. Computational fluid dynamics simulated the transport resistances and a pseudo-homogenous reactor model was used to evaluate the pressure drop and conversion. CFD simulations showed that glycerol steam reforming has strong internal diffusion resistances resulting in extremely low effectiveness factors. In the pseudo-homogenous reactor model, the highest conversion obtained with a Reynolds number of 100 (29.5 kg/h) was 9.14% using a 1/6 inch catalyst diameter. Due to the low effectiveness factors and high carbon deposition rates, a fluidized bed is recommended as the appropriate reactor to carry out glycerol steam reforming.

Keywords: computational fluid dynamic, fixed bed reactor, glycerol, steam reforming, biodiesel

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Authors: Marcin Maslowski, Marian Zaborski

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The aim of the study was to receive magnetorheological elastomer composites (MRE) with the best mechanical characteristics. MRE based on different magnetoactive fillers in ethylene-octene rubber are reported and studied. To improve mechanical properties of polymer mixtures, also carbon black (N550) was added during the composites preparation process. Micro and nan-sized magnetites (Fe3O4), as well as gamma iron oxide (gamma-Fe2O3) and carbonyl iron powder (CIP) are added together with carbon black (N550) were found to be an active fillers systems improving both static and dynamic mechanical properties of elastomers. They also changed magnetic properties of composites. Dynamic-mechanical analysis (DMA) indicates the presence of strongly developed secondary structure in vulcanizates. Reinforcing character of applied different fillers systems results in an increased stress at 100% elongation, tensile strength and cross-linking density of the vulcanizates. Studies investigated by vibration sample magnetometer (VSM) proved that all composites exhibit good magnetic properties.

Keywords: carbon black, mechanical properties, magnetorheological composites, magnetic fillers

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Authors: Liu Linxin

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As system complexity increases, log parsing and anomaly detection become more and more important in ensuring system stability. However, traditional methods often face the problems of insufficient adaptability and decreasing accuracy when dealing with rapidly changing log contents and unknown domains. To this end, this paper proposes an approach LogRAG, which combines RAG (Retrieval Augmented Generation) technology with Prompt Engineering for Large Language Models, applied to log analysis tasks to achieve dynamic parsing of logs and intelligent anomaly detection. By combining real-time information retrieval and prompt optimisation, this study significantly improves the adaptive capability of log analysis and the interpretability of results. Experimental results show that the method performs well on several public datasets, especially in the absence of training data, and significantly outperforms traditional methods. This paper provides a technical path for log parsing and anomaly detection, demonstrating significant theoretical value and application potential.

Keywords: log parsing, anomaly detection, retrieval-augmented generation, prompt engineering, LLMs

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Authors: Moustafa Osman Mohammed

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This paper introduces topological order in descried social systems starting with the original concept of autopoiesis by biologists and scientists, including the modification of general systems based on socialized medicine. Topological order is important in describing the physical systems for exploiting optical systems and improving photonic devices. The stats of topological order have some interesting properties of topological degeneracy and fractional statistics that reveal the entanglement origin of topological order, etc. Topological ideas in photonics form exciting developments in solid-state materials, that being; insulating in the bulk, conducting electricity on their surface without dissipation or back-scattering, even in the presence of large impurities. A specific type of autopoiesis system is interrelated to the main categories amongst existing groups of the ecological phenomena interaction social and medical sciences. The hypothesis, nevertheless, has a nonlinear interaction with its natural environment 'interactional cycle' for exchange photon energy with molecules without changes in topology. The engineering topology of a biosensor is based on the excitation boundary of surface electromagnetic waves in photonic band gap multilayer films. The device operation is similar to surface Plasmonic biosensors in which a photonic band gap film replaces metal film as the medium when surface electromagnetic waves are excited. The use of photonic band gap film offers sharper surface wave resonance leading to the potential of greatly enhanced sensitivity. So, the properties of the photonic band gap material are engineered to operate a sensor at any wavelength and conduct a surface wave resonance that ranges up to 470 nm. The wavelength is not generally accessible with surface Plasmon sensing. Lastly, the photonic band gap films have robust mechanical functions that offer new substrates for surface chemistry to understand the molecular design structure and create sensing chips surface with different concentrations of DNA sequences in the solution to observe and track the surface mode resonance under the influences of processes that take place in the spectroscopic environment. These processes led to the development of several advanced analytical technologies: which are; automated, real-time, reliable, reproducible, and cost-effective. This results in faster and more accurate monitoring and detection of biomolecules on refractive index sensing, antibody-antigen reactions with a DNA or protein binding. Ultimately, the controversial aspect of molecular frictional properties is adjusted to each other in order to form unique spatial structure and dynamics of biological molecules for providing the environment mutual contribution in investigation of changes due to the pathogenic archival architecture of cell clusters.

Keywords: autopoiesis, photonics systems, quantum topology, molecular structure, biosensing

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Authors: Loren S. Bernal., Catalina Castillo, Carel E. Carvajal, José F. Ibla

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Plastic pollution, specifically microplastics, has become a significant issue in aquatic ecosystems worldwide. The large amount of plastic waste carried by water tributaries has resulted in the accumulation of microplastics in water bodies. The polymer aging process caused by environmental influences such as photodegradation and chemical degradation of additives leads to polymer embrittlement and properties change that require degradation or reduction procedures in rivers. However, there is a lack of such procedures for freshwater entities that develop over extended periods. The aim of this study is evaluate the potential of Pleurotus ostreatus a fungus, in reducing lowdensity polyethylene microplastics present in freshwater samples collected from the middle basin of the Magdalena River in Colombia. The study aims to evaluate this process both in vitro and in silico by identifying the growth capacity of Pleurotus ostreatus in the presence of microplastics and identifying the most likely interactions of Pleurotus ostreatus enzymes and their affinity energies. The study follows an engineering development methodology applied on an experimental basis. The in vitro evaluation protocol applied in this study focused on the growth capacity of Pleurotus ostreatus on microplastics using enzymatic inducers. In terms of in silico evaluation, molecular simulations were conducted using the Autodock 1.5.7 program to calculate interaction energies. The molecular dynamics were evaluated by using the myPresto Portal and GROMACS program to calculate radius of gyration and Energies.The results of the study showed that Pleurotus ostreatus has the potential to degrade low-density polyethylene microplastics. The in vitro evaluation revealed the adherence of Pleurotus ostreatus to LDPE using scanning electron microscopy. The best results were obtained with enzymatic inducers as a MnSO4 generating the activation of laccase or manganese peroxidase enzymes in the degradation process. The in silico modelling demonstrated that Pleurotus ostreatus was able to interact with the microplastics present in LDPE, showing affinity energies in molecular docking and molecular dynamics shown a minimum energy and the representative radius of gyration between each enzyme and its substract. The study contributes to the development of bioremediation processes for the removal of microplastics from freshwater sources using the fungus Pleurotus ostreatus. The in silico study provides insights into the affinity energies of Pleurotus ostreatus microplastic degrading enzymes and their interaction with low-density polyethylene. The study demonstrated that Pleurotus ostreatus can interact with LDPE microplastics, making it a good agent for the development of bioremediation processes that aid in the recovery of freshwater sources. The results of the study suggested that bioremediation could be a promising approach to reduce microplastics in freshwater systems.

Keywords: bioremediation, in silico modelling, microplastics, Pleurotus ostreatus

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Authors: Varshith Kotagiri, Lei Li

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Fluorescent sensors are organic fluorophores that detect specific analytes with quantitative fluorescence intensity changes. They have offered impressive benefits compared with instrumental techniques, such as low cost, high selectivity, and rapid responses. One issue that limits the fluorescent sensors for further application is their poor solubility in the aqueous medium, where most targeted analytes, including metal ions, inorganic anions, and neutral biomolecules, are readily soluble. When fluorescent sensors are utilized to detect these analytes, a heterogeneous phase is formed. In most cases, an extra water-miscible organic solvent is needed as an additive to facilitate the sensing process, which complicates the measurement operations and produces more organic waste. We aim to resolve this issue by skillful molecular design to introduce a hydrophilic side chain to the fluorescent sensor, increasing its water solubility and facilitating its sensing process to analytes, like various protons, fluoride ions, and copper ions, in an aqueous medium. Simultaneously, its sensitivity and selectivity will be retained. This work will simplify the sensing operations and reduce the amount of organic waste produced during the measurement. This strategy will additionally be of broad interest to the chemistry community, as it introduces the idea of modifying the molecular structure to apply an initial hydrophobic compound under hydrophilic conditions in a feasible way.

Keywords: organic fluorescent sensor, analytes, sensing, aqueous medium, phenanthroimidazole, hydrophilic side chain

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Authors: Constantin Ott, Dietmar Drummer

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The direct encapsulation of electronic components is an effective way of protecting components against external influences. In addition to achieving a sufficient protective effect, there are two other big challenges for satisfying the increasing demand for encapsulated circuit boards. The encapsulation process should be both suitable for mass production and offer a low component load. Injection molding is a method with good suitability for large series production but also with typically high component stress. In this article, two aims were pursued: first, the development of a calculation model that allows an estimation of the occurring forces based on process variables and material parameters. Second, the evaluation of a new approach for stress reduction by means of thermoplastic foam injection molding. For this purpose, simulation-based process data was generated with the Moldflow simulation tool. Based on this, component stresses were calculated with the calculation model. At the same time, this paper provided a model for estimating the forces occurring during overmolding and derived a solution method for reducing these forces. The suitability of this approach was clearly demonstrated and a significant reduction in shear forces during overmolding was achieved. It was possible to demonstrate a process development that makes it possible to meet the two main requirements of direct encapsulation in addition to a high protective effect.

Keywords: encapsulation, stress reduction, foam-injection-molding, simulation

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Authors: Adebisi Adunola Demehin, Wanlaya Thamnarak, Jaruwan Chatwichien, Chatchakorn Eurtivong, Kiattawee Choowongkomon, Somsak Ruchirawat, Nopporn Thasana

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The epidermal growth factor receptor (EGFR) is a transmembrane glycoprotein involved in cellular signalling processes and, its aberrant activity is crucial in the development of many cancers such as lung cancer. Selaginellaceae are fern allies that have long been used in Chinese traditional medicine to treat various cancer types, especially lung cancer. Biflavonoids, the major secondary metabolites in Selaginellaceae, have numerous pharmacological activities, including anti-cancer and anti-inflammatory. For instance, amentoflavone induces a cytotoxic effect in the human NSCLC cell line via the inhibition of PARP-1. However, to the best of our knowledge, there are no studies on biflavonoids as EGFR inhibitors. Thus, this study aims to investigate the EGFR inhibitory activities of biflavonoids isolated from Selaginella siamensis and Selaginella bryopteris. Amentoflavone, tetrahydroamentoflavone, sciadopitysin, robustaflavone, robustaflavone-4-methylether, delicaflavone, and chrysocauloflavone were isolated from the ethyl-acetate extract of the whole plants. The structures were determined using NMR spectroscopy and mass spectrometry. In vitro study was conducted to evaluate their cytotoxicity against A549, HEPG2, and T47D human cancer cell lines using the MTT assay. In addition, a target-based assay was performed to investigate their EGFR inhibitory activity using the kinase inhibition assay. Finally, a molecular docking study was conducted to predict the binding modes of the compounds. Robustaflavone-4-methylether and delicaflavone showed the best cytotoxic activity on all the cell lines with IC50 (µM) values of 18.9 ± 2.1 and 22.7 ± 3.3 on A549, respectively. Of these biflavonoids, delicaflavone showed the most potent EGFR inhibitory activity with an 84% relative inhibition at 0.02 nM using erlotinib as a positive control. Robustaflavone-4-methylether showed a 78% inhibition at 0.15 nM. The docking scores obtained from the molecular docking study correlated with the kinase inhibition assay. Robustaflavone-4-methylether and delicaflavone had a docking score of 72.0 and 86.5, respectively. The inhibitory activity of delicaflavone seemed to be linked with the C2”=C3” and 3-O-4”’ linkage pattern. Thus, this study suggests that the structural features of these compounds could serve as a basis for developing new EGFR-TK inhibitors.

Keywords: anticancer, biflavonoids, EGFR, molecular docking, Selaginellaceae

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Authors: Omaima A. Sharaf, Tarek A. Moussa, Said M. Badr El-Din, H. Moawad

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Background: Polycyclic aromatic hydrocarbons (PAHs) pose great environmental and human health concerns for their widespread occurrence, persistence, and carcinogenic properties. PAHs releases due to anthropogenic activities to the wider environment have led to higher concentrations of these contaminants than would be expected from natural processes alone. This may result in a wide range of environmental problems that can accumulate in agricultural ecosystems, which threatened to become a negative impact on sustainable agricultural development. Thus, this study aimed to evaluate the physico-chemical, and microbial properties of the compost leachate (CL) to assess its role as nutrient and microbial source (biostimulation/bioaugmentation) for developing a cost-effective bioremediation technology for PAHs contaminated sites. Material and Methods: PAHs-degrading bacteria were isolated from CL that was collected from a composting site located in central Scotland, UK. Isolation was carried out by enrichment using phenanthrene (PHR), pyrene (PYR) and benzo(a)pyrene (BaP) as the sole source of carbon and energy. The isolates were characterized using a variety of phenotypic and molecular properties. Six different isolates were identified based on the difference in morphological and biochemical tests. The efficiency of these isolates in PAHs utilization was assessed. Further analysis was performed to define taxonomical status and phylogenic relation between the most potent PAHs-utilizing bacterial strains and other standard strains, using molecular approach by partial 16S rDNA gene sequence analysis. Results indicated that the 16S rDNA sequence analysis confirmed the results of biochemical identification, as both of biochemical and molecular identification of the isolates assigned them to Bacillus licheniformis, Pseudomonas aeruginosa, Alcaligenes faecalis, Serratia marcescens, Enterobacter cloacae and Providenicia which were identified as the prominent PAHs-utilizers isolated from CL. Conclusion: This study indicates that the CL samples contain a diverse population of PAHs-degrading bacteria and the use of CL may have a potential for bioremediation of PAHs contaminated sites.

Keywords: polycyclic aromatic hydrocarbons, physico-chemical analyses, compost leachate, microbial and biochemical analyses, phylogenic relations, 16S rDNA sequence analysis

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Authors: Muhammad Naeem, Abdulrahman A. Al-Rabiah

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Technical mixture of C4 containing 1-butene and n-butane are very close to each other with respect to their boiling points i.e. -6.3°C for 1-butene and -1°C for n-butane. Extractive distillation process is used for the separation of 1-butene from the existing mixture of C4. The solvent is the essential of extractive distillation, and an appropriate solvent shows an important role in the process economy of extractive distillation. Aspen Plus has been applied for the separation of these hydrocarbons as a simulator; moreover NRTL activity coefficient model was used in the simulation. This model indicated that the material balances in this separation process were accurate for several solvent flow rates. Mixture of acetonitrile and water used as a solvent and 99 % pure 1-butene was separated. This simulation proposed the ratio of the feed to solvent as 1 : 7.9 and 15 plates for the solvent recovery column, previously feed to solvent ratio was more than this and the proposed plates were 30, which can economize the separation process.

Keywords: extractive distillation, 1-butene, Aspen Plus, ACN solvent

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Authors: Kholod Hajo

Abstract:

In this study COMSOL Multiphysics was used to design lateral flow biosensors (LFBs) which provide advantages in low cost, simplicity, rapidity, stability and portability thus making LFBs popular in biomedical, agriculture, food and environmental sciences. This study was focused on simulation model of biosensor based on gold nanoparticles (GNPs) designed using software package (COMSOL Multiphysics), the magnitude of the laminar velocity field in the flow cell, concentration distribution in the analyte stream and surface coverage of adsorbed species and average fractional surface coverage of adsorbed analyte were discussed from the model and couples of suggestion was given in order to functionalize GNPs and to increase the accuracy of the biosensor design, all above were obtained acceptable results.

Keywords: model, gold nanoparticles, biosensor, COMSOL Multiphysics

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Authors: Mahmoud Zakeri Niri, Saber Moazami, Arman Abdollahipour, Hossein Ghalkhani

Abstract:

The objective of this research is to hydrological evaluation of four widely-used satellite precipitation products named PERSIANN, TMPA-3B42V7, TMPA-3B42RT, and CMORPH over Zarinehrood basin in Iran. For this aim, at first, daily streamflow of Sarough-cahy river of Zarinehrood basin was simulated using IHACRES rainfall-runoff model with daily rain gauge and temperature as input data from 1988 to 2008. Then, the model was calibrated in two different periods through comparison the simulated discharge with the observed one at hydrometric stations. Moreover, in order to evaluate the performance of satellite precipitation products in streamflow simulation, the calibrated model was validated using daily satellite rainfall estimates from the period of 2003 to 2008. The obtained results indicated that TMPA-3B42V7 with CC of 0.69, RMSE of 5.93 mm/day, MAE of 4.76 mm/day, and RBias of -5.39% performs better simulation of streamflow than those PERSIANN and CMORPH over the study area. It is noteworthy that in Iran, the availability of ground measuring station data is very limited because of the sparse density of hydro-meteorological networks. On the other hand, large spatial and temporal variability of precipitations and lack of a reliable and extensive observing system are the most important challenges to rainfall analysis, flood prediction, and other hydrological applications in this country.

Keywords: hydrological evaluation, IHACRES, satellite precipitation product, streamflow simulation

Procedia PDF Downloads 241

Authors: Y. B. Kirankumar, J. D. Mallapur

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Wireless Sensor Network (WSN) is an emerging technology, which has great invention for various low cost applications both for mass public as well as for defence. The wireless sensor communication technology allows random participation of sensor nodes with particular applications to take part in the network, which results in most of the uncovered simulation area, where fewer nodes are located at far distances. The drawback of such network would be that the additional energy is spent by the nodes located in a pattern of dense location, using more number of nodes for a smaller distance of communication adversely in a region with less number of nodes and additional energy is again spent by the source node in order to transmit a packet to neighbours, thereby transmitting the packet to reach the destination. The proposed work is intended to develop Energy Efficient Node Placement Algorithm (EENPA) in order to place the sensor node efficiently in simulated area, where all the nodes are equally located on a radial path to cover maximum area at equidistance. The total energy consumed by each node compared to random placement of nodes is less by having equal burden on fewer nodes of far location, having distributed the nodes in whole of the simulation area. Calculating the network lifetime also proves to be efficient as compared to random placement of nodes, hence increasing the network lifetime, too. Simulation is been carried out in a qualnet simulator, results are obtained on par with random placement of nodes with EENP algorithm.

Keywords: energy, WSN, wireless sensor network, energy approach

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Authors: H. K. Sachidananda, K. Raghunandana, B. Shivamurthy

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The estimation of gear tooth stiffness is important for finding the load distribution between the gear teeth when two consecutive sets of teeth are in contact. Based on dynamic model a C-program has been developed to compute mesh stiffness. By using this program position dependent mesh stiffness of spur gear tooth for various profile shifts have been computed for a fixed center distance and altering tooth-sum gearing (100 by ± 4%). It is found that the C-program using dynamic model is one of the rapid soft computing technique which helps in design of gears. The mesh tooth stiffness along the path of contact is studied for both 20° and 25° pressure angle gears at various profile shifts. Better tooth stiffness is noticed in case of negative alteration tooth-sum gears compared to standard and positive alteration tooth-sum gears. Also, in case of negative alteration tooth-sum gearing better mesh stiffness is noticed in 20° pressure angle when compared to 25°.

Keywords: altered tooth-sum gearing, bending fatigue, mesh stiffness, spur gear

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Authors: Kavindan Balakrishnan

Abstract:

Root cause Identification of the Vibration phenomenon in a feedwater pumping station was the main objective of this research. First, the mode shapes of the pumping structure were investigated using numerical and analytical methods. Then the flow pressure and streamline distribution in the pump sump were examined using C.F.D. simulation, which was hypothesized can be a cause of vibration in the pumping station. As the problem specification of this research states, the vibration phenomenon in the pumping station, with four parallel pumps operating at the same time and heavy vibration recorded even after several maintenance steps. They also specified that a relatively large amplitude of vibration exited by pumps 1 and 4 while others remain normal. As a result, the focus of this research was on determining the cause of such a mode of vibration in the pump station with the assistance of Finite Element Analysis tools and Analytical methods. Major outcomes were observed in structural behavior which is favorable to the vibration pattern phenomenon in the pumping structure as a result of this research. Behaviors of the numerical and analytical models of the pump structure have similar characteristics in their mode shapes, particularly in their 2nd mode shape, which is considerably related to the exact cause of the research problem statement. Since this study reveals several possible points of flow visualization in the pump sump model that can be a favorable cause of vibration in the system, there is more room for improved investigation on flow conditions relating to pump vibrations.

Keywords: vibration, simulation, analysis, Ansys, Matlab, mode shapes, pressure distribution, structure

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Authors: Nutthawadee Jampanil, Kattareeya Kumthip, Niwat Maneekarn, Pattara Khamrin

Abstract:

Rotavirus A is one of the leading causes of acute gastroenteritis in children younger than five years of age, especially in low-income countries in Africa and South Asia. Two live-attenuated oral rotavirus vaccines, Rotarix and RotaTeq, have been introduced into routine immunization programs in many countries and have proven highly effective in reducing the burden of rotavirus-associated morbidity and mortality. In Thailand, Rotarix and RotaTeq vaccines have been included in the national childhood immunization program since 2020. The objectives of this research are to conduct a molecular epidemiological study and to characterize rotavirus genotypes circulating in pediatric patients with acute diarrhea in Chiang Mai, Thailand, from 2020-2022 after the implementation of rotavirus vaccines. Out of 858 stool specimens, 26 (3.0%) were positive for rotavirus A. G3P[8] (23.0%) was detected as the most predominant genotype, followed by G1P[8] (19.2%), G8P[8] (19.2%), G9P[8] (15.3%), G2P[4] (7.7%), G1P[6] (3.9%), G9P[4] (3.9%), and G8P[X] (3.9%). In addition, the uncommon rotavirus strain G3P[23] (3.9%) was also detected in this study, and this G3P[23] strain displayed a genetic background similar to the porcine rotavirus. In conclusion, there was a dramatic change in the prevalence of rotavirus A infection and the diversity of rotavirus A genotypes in pediatric patients in Chiang Mai, Northern Thailand, in the rotavirus post-vaccination period. The finding obtained from this research contributes to a better understanding of rotavirus epidemiology after rotavirus vaccine introduction. Furthermore, the identification of unusual G and P genotype combination strains provides significant evidence for the potential interspecies transmission between human and animal rotaviruses.

Keywords: rotavirus, infectious disease, gastroenteritis, Thailand

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Authors: Ipek Kivanc, Demet Ozgur-Unluakin

Abstract:

Over the past years, technological innovations and advancements have played an important role in the industrial world. Due to technological improvements, the degree of complexity of the systems has increased. Hence, all systems are getting more uncertain that emerges from increased complexity, resulting in more cost. It is challenging to cope with this situation. So, implementing efficient planning of maintenance activities in such systems are getting more essential. Partially Observable Markov Decision Processes (POMDPs) are powerful tools for stochastic sequential decision problems under uncertainty. Although maintenance optimization in a dynamic environment can be modeled as such a sequential decision problem, POMDPs are not widely used for tackling maintenance problems. However, they can be well-suited frameworks for obtaining optimal maintenance policies. In the classical representation of the POMDP framework, the system is denoted by a single node which has multiple states. The main drawback of this classical approach is that the state space grows exponentially with the number of state variables. On the other side, factored representation of POMDPs enables to simplify the complexity of the states by taking advantage of the factored structure already available in the nature of the problem. The main idea of factored POMDPs is that they can be compactly modeled through dynamic Bayesian networks (DBNs), which are graphical representations for stochastic processes, by exploiting the structure of this representation. This study aims to demonstrate how maintenance planning of dynamic systems can be modeled with factored POMDPs. An empirical maintenance planning problem of a dynamic system consisting of four partially observable components deteriorating in time is designed. To solve the empirical model, we resort to Symbolic Perseus solver which is one of the state-of-the-art factored POMDP solvers enabling approximate solutions. We generate some more predefined policies based on corrective or proactive maintenance strategies. We execute the policies on the empirical problem for many replications and compare their performances under various scenarios. The results show that the computed policies from the POMDP model are superior to the others. Acknowledgment: This work is supported by the Scientific and Technological Research Council of Turkey (TÜBİTAK) under grant no: 117M587.

Keywords: factored representation, maintenance, multi-component system, partially observable Markov decision processes

Procedia PDF Downloads 134