Search results for: hybrid LES-RANS simulations

Authors: Sergey Kopysov, Nikita Nedozhogin, Leonid Tonkov

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The article presents a parallel iterative solver for large sparse linear systems which can be used on a heterogeneous platform. Traditionally, the problem of solving linear systems does not scale well on multi-CPU/multi-GPUs clusters. For example, most of the attempts to implement the classical conjugate gradient method were at best counted in the same amount of time as the problem was enlarged. The paper proposes the pipelined variant of the conjugate gradient method (PCG), a formulation that is potentially better suited for hybrid CPU/GPU computing since it requires only one synchronization point per one iteration instead of two for standard CG. The standard and pipelined CG methods need the vector entries generated by the current GPU and other GPUs for matrix-vector products. So the communication between GPUs becomes a major performance bottleneck on multi GPU cluster. The article presents an approach to minimize the communications between parallel parts of algorithms. Additionally, computation and communication can be overlapped to reduce the impact of data exchange. Using the pipelined version of the CG method with one synchronization point, the possibility of asynchronous calculations and communications, load balancing between the CPU and GPU for solving the large linear systems allows for scalability. The algorithm is implemented with the combined use of technologies: MPI, OpenMP, and CUDA. We show that almost optimum speed up on 8-CPU/2GPU may be reached (relatively to a one GPU execution). The parallelized solver achieves a speedup of up to 5.49 times on 16 NVIDIA Tesla GPUs, as compared to one GPU.

Keywords: conjugate gradient, GPU, parallel programming, pipelined algorithm

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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: Óscar Alfonso Gómez Sepúlveda, Julián Ernesto Jaramillo, Diego Camilo Durán

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The global climate crisis has affected different aspects of human life, and in an effort to reverse the effects generated, we seek to optimize and improve the equipment and plants that produce high emissions of CO₂, being possible to achieve this through numerical simulations. These equipments include biomass combustion chambers. The objective of this research is to visualize the thermal behavior of a gas chamber that is used in the process of obtaining vegetable extracts. The simulation is carried out with OpenFOAM taking into account the conservation of energy, turbulence, and radiation; for the purposes of the simulation, combustion is omitted and replaced by heat generation. Within the results, the streamlines generated by the primary and secondary flows are analyzed in order to visualize whether they generate the expected effect, and the energy is used to the maximum. The inclusion of radiation seeks to compare its influence and also simplify the computational times to perform mesh analysis. An analysis is carried out with simplified geometries and with experimental data to corroborate the selection of the models to be used, and it is obtained that for turbulence, the appropriate one is the standard k - w. As a means of verification, a general energy balance is made and compared with the results of the numerical analysis, where the error is 1.67%, which is considered acceptable. From the approach to improvement options, it was found that with the implementation of fins, heat can be increased by up to 7.3%.

Keywords: CFD analysis, biomass, heat transfer, radiation, OpenFOAM

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Authors: P. Deepak Kumar, P. R. Maiti

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In recent years, sediment scour near bridge piers and abutment is a serious problem which causes nationwide concern because it has resulted in more bridge failures than other causes. Scour is the formation of scour hole around the structure mounted on and embedded in erodible channel bed due to the erosion of soil by flowing water. The formation of scour hole around the structures depends upon shape and size of the pier, depth of flow as well as angle of attack of flow and sediment characteristics. The flow characteristics around these structures change due to man-made obstruction in the natural flow path which changes the kinetic energy of the flow around these structures. Excessive scour affects the stability of the foundation of the structure by the removal of the bed material. The accurate estimation of scour depth around bridge pier is very difficult. The foundation of bridge piers have to be taken deeper and to provide sufficient anchorage length required for stability of the foundation. In this study, computational model simulations using a 3D Computational Fluid Dynamics (CFD) model were conducted to examine the mechanism of scour around a cylindrical pier. Subsequently, the flow characteristics around these structures are presented for different flow conditions. Mechanism of scouring phenomenon, the formation of vortex and its consequent effect is discussed for a straight channel. Effort was made towards estimation of scour depth around bridge piers under different flow conditions.

Keywords: bridge pier, computational fluid dynamics, multigrid, pier shape, scour

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Authors: Isik Cetintav, Cenk Misirli, Yilmaz Can

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This work investigates upsetting of the tri-metallic cylindrical billets both experimentally and analytically with a reduction ratio 30%. Steel, brass, and copper are used for the outer and outmost rings and aluminum for the inner core. Two different models have been designed to show material flow and the cavity took place over the two interfaces during forming after this reduction ratio. Each model has an outmost ring material as steel. Model 1 has an outer ring between the outmost ring and the solid core material as copper and Model 2 has a material as brass. Solid core is aluminum for each model. Billets were upset in press machine by using parallel flat dies. Upsetting load was recorded and compared for models and single billets. To extend the tests and compare with experimental procedure to a wider range of inner core and outer ring geometries, finite element model was performed. ABAQUS software was used for the simulations. The aim is to show how contact between outmost ring, outer ring and the inner core are carried on throughout the upsetting process. Results have shown that, with changing in height, between outmost ring, outer ring and inner core, the Model 1 and Model 2 had very good interaction, and the contact surfaces of models had various interface behaviour. It is also observed that tri-metallic materials have lower weight but better mechanical properties than single materials. This can give an idea for using and producing these new materials for different purposes.

Keywords: tri-metallic, upsetting, copper, brass, steel, aluminum

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Authors: Proficiency Munsaka, Peter Baricholo, Erich Rohwer

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Pulse evolutions along the 5 cm long, 6.0 ×4.2 μm² cross-section silicon germanium (SiGe) photonic waveguides were simulated and compared with experiments. Simulations were carried out by solving a generalized nonlinear Schrodinger equation (GNLSE) for an optical pulse evolution along the length of the SiGe photonic waveguides by the split-step Fourier method (SSFM). The solution obtained from the SSFM gave the pulse envelope in both time and spectral domain calculated at each distance step along the propagation direction. The SiGe photonic waveguides were pumped in an anomalous group velocity dispersion (GVD) regime using a 4.7 μm, 210 fs femtosecond laser to produce a significant supercontinuum (SC). The simulated propagation of ultrafast pulse along the SiGe photonic waveguides produced an SC covering the atmospheric window (2.5-8.5 μm) containing the molecular fingerprints for important gases. Thus, the mid-infrared supercontinuum generation in SiGe photonic waveguides system can be commercialized for gas spectroscopy for detecting gases that include CO₂, CH₄, H₂O, SO₂, SO₃, NO₂, H₂S, CO, and NO at trace level using absorption spectroscopy technique. The simulated profile evolutions are spectrally and temporally similar to those obtained by other researchers. Obtained evolution profiles are characterized by pulse compression, Soliton fission, dispersive wave generation, stimulated Raman Scattering, and Four Wave mixing.

Keywords: silicon germanium photonic waveguide, supercontinuum generation, spectroscopy, mid infrared

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Authors: Zory Marantz

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Hybrid flexible (HyFlex) is a pedagogical methodology whereby an instructor delivers content in three modalities, i.e. live in-person (LIP), live online synchronous (LOS), and non-live online asynchronous (nLOaS). HyFlex is focused on providing the largest level of flexibility needed to achieve a cohesive environment across all modalities and incorporating four basic principles – learner’s choice, reusability, accessibility, and equivalency. Much literature has focused on the advantages of this methodology in providing students with the flexibility to choose their learning modality as best suits their schedules and learning styles. Initially geared toward graduate-level students, the concept has been applied to undergraduate studies, particularly during our national pedagogical response to the COVID19 pandemic. There is still little literature about the practicality and feasibility of HyFlex for hardware laboratory intensive engineering technology programs, particularly in dense, urban commuter institutions of higher learning. During a semester of engineering, a lab-based course was taught in the HyFlex modality, and students were asked to complete a survey about their experience. The data demonstrated that there is no single mode that is preferred by a majority of students and the usefulness of any modality is limited to how familiar the student and instructor are with the technology being applied. The technology is only as effective as our understanding and comfort with its functionality. For HyFlex to succeed in its implementation in an engineering technology environment within an urban commuter institution, faculty and students must be properly introduced to the technology being used.

Keywords: education, HyFlex, technology, urban, commuter, pedagogy

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Authors: Amir Sattari

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For newly produced houses and energy renovations, an energy calculation needs to be conducted. This is done to verify whether the energy consumption criteria of the house -to reach the energy targets by 2020 and 2050- are in-line with the norms. The main purpose of this study is to confirm whether easy to use energy calculation software or hand calculations used by small companies or individuals give logical results compared to advanced energy simulation program used by researchers or bigger companies. There are different methods for calculating energy consumption. In this paper, two energy calculation programs are used and the relation of energy consumption with solar radiation is compared. A hand calculation is also done to validate whether the hand calculations are still reasonable. The two computer programs which have been used are TMF Energi (the easy energy calculation variant used by small companies or individuals) and IDA ICE - Indoor Climate and Energy (the advanced energy simulation program used by researchers or larger companies). The calculations are done for a standard house from the Swedish house supplier Fiskarhedenvillan. The method is based on having the same conditions and inputs in the different calculation forms so that the results can be compared and verified. The house has been faced differently to see how the orientation affects energy consumption in different methods. The results for the simulations are close to each other and the hand calculation differs from the computer programs by only 5%. Even if solar factors differ due to the orientation of the house, energy calculation results from different computer programs and even hand calculation methods are in line with each other.

Keywords: energy calculation, energy consumption, energy simulation, IDA ICE, TMF energi

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Authors: Nagham Ismail, Djamel Ouahrani

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Thermal resilience in the built environment reflects the building's capacity to adapt to extreme climate changes. In hot climates, power outages in office buildings pose risks to the health and productivity of workers. Therefore, it is of interest to quantify the thermal resilience of office buildings by developing a user-friendly simplified model. This simplified model begins with creating an assessment metric of thermal resilience that measures the duration between the power outage and the point at which the thermal habitability condition is compromised, considering different power interruption times (morning, noon, and afternoon). In this context, energy simulations of an office building are conducted for Qatar's summer weather by changing different parameters that are related to the (i) wall characteristics, (ii) glazing characteristics, (iii) load, (iv) orientation and (v) air leakage. The simulation results are processed using SPSS to derive linear regression equations, aiding stakeholders in evaluating the performance of commercial buildings during different power interruption times. The findings reveal the significant influence of glazing characteristics on thermal resilience, with the morning power outage scenario posing the most detrimental impact in terms of the shortest duration before compromising thermal resilience.

Keywords: thermal resilience, thermal envelope, energy modeling, building simulation, thermal comfort, power disruption, extreme weather

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Authors: Jingting Luo, Yong Wang, Ying Wang

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Pedestrian detection in image or video data is a very important and challenging task in security surveillance. The difficulty of this task is to locate and detect pedestrians of different scales in complex scenes accurately. To solve these problems, a deep neural network (RT-YOLOv3) is proposed to realize real-time pedestrian detection at different scales in security monitoring. RT-YOLOv3 improves the traditional YOLOv3 algorithm. Firstly, the deep residual network is added to extract vehicle features. Then six convolutional neural networks with different scales are designed and fused with the corresponding scale feature maps in the residual network to form the final feature pyramid to perform pedestrian detection tasks. This method can better characterize pedestrians. In order to further improve the accuracy and generalization ability of the model, a hybrid pedestrian data set training method is used to extract pedestrian data from the VOC data set and train with the INRIA pedestrian data set. Experiments show that the proposed RT-YOLOv3 method achieves 93.57% accuracy of mAP (mean average precision) and 46.52f/s (number of frames per second). In terms of accuracy, RT-YOLOv3 performs better than Fast R-CNN, Faster R-CNN, YOLO, SSD, YOLOv2, and YOLOv3. This method reduces the missed detection rate and false detection rate, improves the positioning accuracy, and meets the requirements of real-time detection of pedestrian objects.

Keywords: pedestrian detection, feature detection, convolutional neural network, real-time detection, YOLOv3

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Authors: Yousef I. Salamin

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Theoretical investigations, analytical as well as numerical, have shown that electrons can be accelerated to GeV energies by the process of cyclotron auto-resonance acceleration (CARA). In CARA, the particle would be injected along the lines of a uniform magnetic field aligned parallel to the direction of propagation of a plane-wave radiation field. Unfortunately, an accelerator based on CARA would be prohibitively too long and too expensive to build and maintain. However, the process stands a better chance of success near the polar cap of a compact object (such as a neutron star, a black hole or a magnetar) or in an environment created in the wake of a binary neutron-star or blackhole merger. Dynamics of the nuclides ₁H¹, ₂He⁴, ₂₆Fe⁵⁶, and ₂₈Ni⁶², in such astrophysical conditions, have been investigated by single-particle calculations and many-particle simulations. The investigations show that these nuclides can reach ZeV energies (1 ZeV = 10²¹ eV) due to interaction with super-intense radiation of wavelengths = 1 and 10 m and = 50 pm and magnetic fields of strengths at the mega- and giga-tesla levels. Examples employing radiation intensities in the range 10³²-10⁴² W/m² have been used. Employing a two-parameter model for representing the radiation field, CARA is analytically generalized to include any state of polarization, and the basic working equations are derived rigorously and in closed analytic form.

Keywords: compact objects, cosmic-ray acceleration, cyclotron auto-resonance, polarization effects, zevatron

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Authors: Milagros Jaén-Vargas, Javier García Martínez, Karla Miriam Reyes Leiva, María Fernanda Trujillo-Guerrero, Francisco Fernandes, Sérgio Barroso Gonçalves, Miguel Tavares Silva, Daniel Simões Lopes, José Javier Serrano Olmedo

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Human Activity Recognition (HAR) is having a growing impact in creating new applications and is responsible for emerging new technologies. Also, the use of wearable sensors is an important key to exploring the human body's behavior when performing activities. Hence, the use of these dispositive is less invasive and the person is more comfortable. In this study, a database that includes three activities is used. The activities were acquired from inertial measurement unit sensors (IMU) and motion capture systems (MOCAP). The main objective is differentiating the performance from four Deep Learning (DL) models: Deep Neural Network (DNN), Convolutional Neural Network (CNN), Recurrent Neural Network (RNN) and hybrid model Convolutional Neural Network-Long Short-Term Memory (CNN-LSTM), when considering acceleration, velocity and position and evaluate if integrating the IMU acceleration to obtain velocity and position represent an increment in performance when it works as input to the DL models. Moreover, compared with the same type of data provided by the MOCAP system. Despite the acceleration data is cleaned when integrating, results show a minimal increase in accuracy for the integrated signals.

Keywords: HAR, IMU, MOCAP, acceleration, velocity, position, feature maps

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Authors: Kuangyou B. Cheng

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Tennis is among the most popular sports worldwide. During ball-racket impact, substantial vibration transmitted to the hand/arm may be the cause of “tennis elbow”. Although it is common for athletes to attach a “vibration damper” to the spring-bed, the effect remains unclear. To avoid subjective factors and errors in data recording, the effect of damper attachment on racket handle end vibration was investigated with computer simulation. The tennis racket was modeled as a beam with free-free ends (similar to loosely holding the racket). Finite difference method with 40 segments was used to simulate ball-racket impact response. The effect of attaching a damper was modeled as having a segment with increased mass. It was found that the damper has the largest effect when installed at the spring-bed center. However, this is not a practical location due to interference with ball-racket impact. Vibration amplitude changed very slightly when the damper was near the top or bottom of the spring-bed. The damper works only slightly better at the bottom than at the top of the spring-bed. In addition, heavier dampers work better than lighter ones. These simulation results were comparable with experimental recordings in which the selection of damper locations was restricted by ball impact locations. It was concluded that mathematical model simulations were able to objectively investigate the effect of damper attachment on racket vibration. In addition, with very slight difference in grip end vibration amplitude when the damper was attached at the top or bottom of the spring-bed, whether the effect can really be felt by athletes is questionable.

Keywords: finite difference, impact, modeling, vibration amplitude

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Authors: Rajat Mittal, Jung Hee Seo, Jacob Turner, Harshal Raut

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The perpetual advancement in computational capabilities, coupled with the continuous evolution of software tools and numerical algorithms, is creating novel avenues for research, exploration, and application at the nexus of computational fluid and structural mechanics. Fish leverage their remarkably flexible bodies and fins to harness energy from vortices, propelling themselves with an elegance and efficiency that captivates engineers. Bats fly with unparalleled agility and speed by using their flexible membrane wings. Wave-assisted propulsion (WAP) systems, utilizing elastically mounted hydrofoils, convert wave energy into thrust. Each of these problems involves a complex and elegant interplay between fluid dynamics and structural mechanics. Historically, investigations into such phenomena were constrained by available tools, but modern computational advancements now facilitate exploration of these multi-physics challenges with an unprecedented level of fidelity, precision, and realism. In this work, the author will discuss projects that harness the capabilities of high-fidelity sharp-interface immersed boundary methods to address a spectrum of engineering and biological challenges involving fluid-structure interaction.

Keywords: immersed boundary methods, CFD, bioflight, fluid structure interaction

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Authors: Yogesh C. Sharma, A. Seetharaman

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The decision-making process in humans is a complicated system influenced by a variety of intrinsic and extrinsic factors. Human decisions have a ripple effect on subsequent decisions. In this study, the scope of human decision making is limited to employees. In an organisation, a person makes a variety of decisions from the time they are hired to the time they retire. The goal of this research is to identify various elements that influence decision-making. In addition, the environment in which a decision is made is a significant aspect of the decision-making process. Employees in today's workplace use artificial intelligence (AI) systems for automation and decision augmentation. The impact of AI systems on the decision-making process is examined in this study. This research is designed based on a systematic literature review. Based on gaps in the literature, limitations and the scope of future research have been identified. Based on these findings, a research framework has been designed to identify various factors affecting employee decision making. Employee decision making is influenced by technological advancement, data-driven culture, human trust, decision automation-augmentation, and workplace motivation. Hybrid human-AI systems require the development of new skill sets and organisational design. Employee psychological safety and supportive leadership influences overall job satisfaction.

Keywords: employee decision making, artificial intelligence (AI) environment, human trust, technology innovation, psychological safety

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Authors: Yasser Rammah, Wolf-Christian Mueller

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Nonlinear triad interactions in incompressible three-dimensional magnetohydrodynamic (3D-MHD) turbulence are studied by analyzing data from high-resolution direct numerical simulations of decaying isotropic (5123 grid points) and forced anisotropic (10242 x256 grid points) turbulence. An accurate numerical approach toward analyzing nonlinear turbulent energy transfer function and triad interactions is presented. It involves the direct numerical examination of every wavenumber triad that is associated with the nonlinear terms in the differential equations of MHD in the inertial range of turbulence. The technique allows us to compute the spectral energy transfer and energy fluxes, as well as the spectral locality property of energy transfer function. To this end, the geometrical shape of each underlying wavenumber triad that contributes to the statistical transfer density function is examined to infer the locality of the energy transfer. Results show that the total energy transfer is local via nonlocal triad interactions in decaying macroscopically isotropic MHD turbulence. In anisotropic MHD, turbulence subject to a strong mean magnetic field the nonlinear transfer is generally weaker and exhibits a moderate increase of nonlocality in both perpendicular and parallel directions compared to the isotropic case. These results support the recent mathematical findings, which also claim the locality of nonlinear energy transfer in MHD turbulence.

Keywords: magnetohydrodynamic (MHD) turbulence, transfer density function, locality function, direct numerical simulation (DNS)

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Authors: Jeffery Dickerson, Thaija Dickerson

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Enterprise contract management faces persistent challenges, including inefficiencies, limited adaptability, and fragmented compliance processes. This research proposes a unified framework leveraging artificial intelligence (AI), blockchain technology, and smart contracts to transform the contract lifecycle. AI-driven probabilistic models enable predictive insights, automated compliance checks, and negotiation optimization, while blockchain enhances security and transparency through cryptographic workflows and decentralized approvals. The framework bridges centralized architectures of Web 2.0 with Web 3.0 technologies, which leverage blockchain for decentralized, trustless operations, ensuring seamless transformation and operational continuity. Smart contracts automate routine processes, enabling dynamic, programmable agreements. Validation through simulations demonstrates significant improvements, including up to a 60% reduction in contract cycle times under simulated conditions and enhanced compliance rates. Designed for scalability and adaptability, the framework supports industries such as procurement, supply chain, and finance, where secure, efficient contract management is critical. By incorporating human validation loops and aligning with sustainability goals, this study offers a scalable, innovative approach to the digital transformation of contract management.

Keywords: contract lifecycle management, artificial intelligence, blockchain, smart contracts

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Authors: Mallikarjunachari G., Venkata Ravi M.

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The objective of this research work is to evaluate the mechanical properties such as elastic modulus and critical rupture load of tomato fruits. Determination of mechanical properties of tomato fruits is essential in various material handling applications, especially as related to robot harvesting, packaging, and transportation. However, extracting meaningful mechanical properties of tomato fruits are extremely challenging due to its layered structure, i.e., the combination of exocarp, mesocarp, and locular gel tissues. Apart from this layered structure, other physical parameters such as diameter, sphericity, locule number, and, the surface to volume ratio also influence the mechanical properties. In this research work, tomato fruits are cultivated in two different ways, namely organic and inorganic farming. Static compression tests are performed to extract the mechanical properties of tomato fruits. Finite element simulations are done to complement the experimental results. It is observed that the effective modulus decreases as the compression depth increase from 0.5 mm to 10 mm and also a critical load of fracture decreases as the locule number increases from 3 to 5. Significant differences in mechanical properties are observed between organically and inorganically cultivated tomato fruits. The current study significantly helps in the design of material handling systems to avoid damage of tomato fruits.

Keywords: elastic modulus, critical load of fracture, locule number, finite element analysis

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Authors: Bakr Gomaa

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Wind driven Cross ventilation is achieved when air moves indoors due to the pressure difference on the building envelope. This is especially important in breezy moderate to humid settings in which fast air flow can promote thermal comfort. Studies have shown that the use of simple building forms or ignoring the urban context when studying natural ventilation can lead to inaccurate results. In this paper, the impact of the urban form of a regular array of buildings is investigated to define the impact of this urban setting on cross ventilation potential. The objective of this paper is to provide the necessary tools to achieve natural ventilation for cooling purposes in an array of building blocks context. The array urban form has been studied before for natural ventilation purposes yet to the best of our knowledge no study has considered the relationship between the urban form and the pressure patterns that develop on the buildings envelope for cross ventilation. For this we use detailed weather data for a case study city of Alexandria (Egypt), as well as a validated CFD simulations to investigate the cross ventilation potential in terms of pressure patterns in waterfront as well as in-city wind flows perpendicular to the buildings array. it was found that for both waterfront and in-city wind speeds the windows needed for cross ventilation in rear raws of the array are significantly larger than those needed for front raw.

Keywords: Alexandria, CFD, cross ventilation, pressure coefficient

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Authors: Wikanda Phaphan

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Mixture generalized gamma distribution is a combination of two distributions: generalized gamma distribution and length biased generalized gamma distribution. These two distributions were presented by Suksaengrakcharoen and Bodhisuwan in 2014. The findings showed that probability density function (pdf) had fairly complexities, so it made problems in estimating parameters. The problem occurred in parameter estimation was that we were unable to calculate estimators in the form of critical expression. Thus, we will use numerical estimation to find the estimators. In this study, we presented a new method of the parameter estimation by using the expectation – maximization algorithm (EM), the conjugate gradient method, and the quasi-Newton method. The data was generated by acceptance-rejection method which is used for estimating α, β, λ and p. λ is the scale parameter, p is the weight parameter, α and β are the shape parameters. We will use Monte Carlo technique to find the estimator's performance. Determining the size of sample equals 10, 30, 100; the simulations were repeated 20 times in each case. We evaluated the effectiveness of the estimators which was introduced by considering values of the mean squared errors and the bias. The findings revealed that the EM-algorithm had proximity to the actual values determined. Also, the maximum likelihood estimators via the conjugate gradient and the quasi-Newton method are less precision than the maximum likelihood estimators via the EM-algorithm.

Keywords: conjugate gradient method, quasi-Newton method, EM-algorithm, generalized gamma distribution, length biased generalized gamma distribution, maximum likelihood method

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Authors: Panpan Fan, Bo Ming, Niels Anten, Jochem Evers, Yaoyao Li, Shaokun Li, Ruizhi xie

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Nitrogen (N) utilization for crop production under N deficiency conditions is subject to a trade-off between maintaining specific leaf N content (SLN), important for radiation-use efficiency (RUE), versus maintaining leaf area (LA) development, important for light capture. This paper aims to explore how maize deals with this trade-off through responses in SLN, LA and their underlying traits during the vegetative and reproductive growth stages. In a ten-year N fertilization trial in Jilin province, Northeast China, three N fertilizer levels have been maintained: N-deficiency (N0), low N supply (N1), and high N supply (N2). We analyzed data from years 8 and 10 of this experiment for two common hybrids. Under N deficiency, maize plants maintained LA and decreased SLN during vegetative stages, while both LA and SLN decreased comparably during reproductive stages. Canopy-average specific leaf area (SLA) decreased sharply during vegetative stages and slightly during reproductive stages, mainly because senesced leaves in the lower canopy had a higher SLA. In the vegetative stage, maize maintained leaf area at low N by maintaining leaf biomass (albeit hence having N content/mass) and slightly increasing SLA. These responses to N deficiency were stronger in maize hybrid XY335 than in ZD958. We conclude the main strategy of maize to cope with low N is to maintain plant growth, mainly by increasing SLA throughout the plant during early growth. N was too limiting for either strategy to be followed during later growth stages.

Keywords: leaf N content per unit leaf area, N deficiency, specific leaf area, maize strateg

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Authors: Rehan Siddiqui, Brendan Quine

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The Radiance Enhancement (RE) and integrated absorption technique is applied to develop a synthetic model to determine the enhancement in radiance due to cloud scene and Shortwave upwelling Radiances (SHupR) by O2, H2O, CO2 and CH4. This new model is used to estimate the magnitude variation for RE and SHupR over spectral range of 900 nm to 1700 nm by varying surface altitude, mixing ratios and surface reflectivity. In this work, we employ satellite real observation of space orbiting Argus 1000 especially for O2, H2O, CO2 and CH4 together with synthetic model by using line by line GENSPECT radiative transfer model. All the radiative transfer simulations have been performed by varying over a different range of percentages of water vapor contents and carbon dioxide with the fixed concentration oxygen and methane. We calculate and compare both the synthetic and real measured observed data set of different week per pass of Argus flight. Results are found to be comparable for both approaches, after allowing for the differences with the real and synthetic technique. The methodology based on RE and SHupR of the space spectral data can be promising for the instant and reliable classification of the cloud scenes.

Keywords: radiance enhancement, radiative transfer, shortwave upwelling radiative flux, cloud reflectivity, greenhouse gases

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Authors: Rowan Moore, Kai Scheffler, Eugen Damoc, Jennifer Sutton, Aaron Bailey, Stephane Houel, Simon Cubbon, Jonathan Josephs

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Purpose: MS analysis of monoclonal antibodies (mAbs) at the protein and peptide levels is critical during development and production of biopharmaceuticals. The compositions of current generation therapeutic proteins are often complex due to various modifications which may affect efficacy. Intact proteins analyzed by MS are detected in higher charge states that also provide more complexity in mass spectra. Protein analysis in native or native-like conditions with zero or minimal organic solvent and neutral or weakly acidic pH decreases charge state value resulting in mAb detection at higher m/z ranges with more spatial resolution. Methods: Three commercially available mAbs were used for all experiments. Intact proteins were desalted online using size exclusion chromatography (SEC) or reversed phase chromatography coupled on-line with a mass spectrometer. For streamlined use of the LC- MS platform we used a single SEC column and alternately selected specific mobile phases to perform separations in either denaturing or native-like conditions: buffer A (20 % ACN, 0.1 % FA) with Buffer B (100 mM ammonium acetate). For peptide analysis mAbs were proteolytically digested with and without prior reduction and alkylation. The mass spectrometer used for all experiments was a commercially available Thermo Scientific™ hybrid Quadrupole-Orbitrap™ mass spectrometer, equipped with the new BioPharma option which includes a new High Mass Range (HMR) mode that allows for improved high mass transmission and mass detection up to 8000 m/z. Results: We have analyzed the profiles of three mAbs under reducing and native conditions by direct infusion with offline desalting and with on-line desalting via size exclusion and reversed phase type columns. The presence of high salt under denaturing conditions was found to influence the observed charge state envelope and impact mass accuracy after spectral deconvolution. The significantly lower charge states observed under native conditions improves the spatial resolution of protein signals and has significant benefits for the analysis of antibody mixtures, e.g. lysine variants, degradants or sequence variants. This type of analysis requires the detection of masses beyond the standard mass range ranging up to 6000 m/z requiring the extended capabilities available in the new HMR mode. We have compared each antibody sample that was analyzed individually with mixtures in various relative concentrations. For this type of analysis, we observed that apparent native structures persist and ESI is benefited by the addition of low amounts of acetonitrile and formic acid in combination with the ammonium acetate-buffered mobile phase. For analyses on the peptide level we analyzed reduced/alkylated, and non-reduced proteolytic digests of the individual antibodies separated via reversed phase chromatography aiming to retrieve as much information as possible regarding sequence coverage, disulfide bridges, post-translational modifications such as various glycans, sequence variants, and their relative quantification. All data acquired were submitted to a single software package for analysis aiming to obtain a complete picture of the molecules analyzed. Here we demonstrate the capabilities of the mass spectrometer to fully characterize homogeneous and heterogeneous therapeutic proteins on one single platform. Conclusion: Full characterization of heterogeneous intact protein mixtures by improved mass separation on a quadrupole-Orbitrap™ mass spectrometer with extended capabilities has been demonstrated.

Keywords: disulfide bond analysis, intact analysis, native analysis, mass spectrometry, monoclonal antibodies, peptide mapping, post-translational modifications, sequence variants, size exclusion chromatography, therapeutic protein analysis, UHPLC

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Authors: Emanuele Bonamente, Andrea Aquino, Franco Cotana

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The exploitation of the low-temperature geothermal resource via ground-source heat pumps is often limited by the high investment cost mainly due to borehole drilling. From the monitoring of a prototypal system currently used by a commercial building, it was found that a simple upgrade of the conventional layout, obtained including a thermal storage between the ground-source heat exchangers and the heat pump, can optimize the ground energy exploitation requiring for shorter/fewer boreholes. For typical applications, a reduction of up to 66% with respect to the conventional layout can be easily achieved. Results from the monitoring campaign of the prototype are presented in this paper, and upgrades of the thermal storage using phase change materials (PCMs) are proposed using computational fluid dynamics simulations. The PCM thermal storage guarantees an improvement of the system coefficient of performance both for summer cooling and winter heating (up to 25%). A drastic reduction of the storage volume (approx. 1/10 of the original size) is also achieved, making it possible to easily place it within the technical room, avoiding extra costs for underground displacement. A preliminary optimization of the PCM geometry is finally proposed.

Keywords: computational fluid dynamics (CFD), geothermal energy, ground-source heat pumps, phase change materials (PCM)

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Authors: Janneth Gonzalez, Marco Avila, George Barreto

Abstract:

GRP78 participates in multiple functions in the cell during normal and pathological conditions, controlling calcium homeostasis, protein folding and unfolded protein response. GRP78 is located in the endoplasmic reticulum, but it can change its location under stress, hypoxic and apoptotic conditions. NF-κB represents the keystone of the inflammatory process and regulates the transcription of several genes related with apoptosis, differentiation, and cell growth. The possible relationship between GRP78-NF-κB could support and explain several mechanisms that may regulate a variety of cell functions, especially following brain injuries. Although several reports show interactions between NF-κB and heat shock proteins family members, there is a lack of information on how GRP78 may be interacting with NF-κB, and possibly regulating its downstream activation. Therefore, we assessed the computational predictions of the GRP78 (Chain A) and NF-κB complex (IkB alpha and p65) protein-protein interactions. The interaction interface of the docking model showed that the amino acids ASN 47, GLU 215, GLY 403 of GRP78 and THR 54, ASN 182 and HIS 184 of NF-κB are key residues involved in the docking. The electrostatic field between GRP78-NF-κB interfaces and molecular dynamic simulations support the possible interaction between the proteins. In conclusion, this work shed some light in the possible GRP78-NF-κB complex indicating key residues in this crosstalk, which may be used as an input for better drug design strategy targeting NF-κB downstream signaling as a new therapeutic approach following brain injuries.

Keywords: computational biology, protein interactions, Grp78, bioinformatics, molecular dynamics

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Authors: Ji-Seok Koo, Hee‑Yong Kwon, Hui-Young Yun, Kyung-Hui Wang, Youn-Seo Koo

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This paper presents a forecasting system for PM2.5 levels in Seoul, South Korea, leveraging a combination of chemical transport modeling and ConvLSTM-DNN machine learning technology. Exposure to PM2.5 has known detrimental impacts on public health, making its prediction crucial for establishing preventive measures. Existing forecasting models, like the Community Multiscale Air Quality (CMAQ) and Weather Research and Forecasting (WRF), are hindered by their reliance on uncertain input data, such as anthropogenic emissions and meteorological patterns, as well as certain intrinsic model limitations. The system we've developed specifically addresses these issues by integrating machine learning and using carefully selected input features that account for local and distant sources of PM2.5. In South Korea, the PM2.5 concentration is greatly influenced by both local emissions and long-range transport from China, and our model effectively captures these spatial and temporal dynamics. Our PM2.5 prediction system combines the strengths of advanced hybrid machine learning algorithms, convLSTM and DNN, to improve upon the limitations of the traditional CMAQ model. Data used in the system include forecasted information from CMAQ and WRF models, along with actual PM2.5 concentration and weather variable data from monitoring stations in China and South Korea. The system was implemented specifically for Seoul's PM2.5 forecasting.

Keywords: PM2.5 forecast, machine learning, convLSTM, DNN

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Authors: Hiba Akrout, Khaoula Hidouri, Béchir Chaouachi, Romdhane Ben Slama

Abstract:

A simple solar distiller has been constructed in order to desalt water via the solar distillation process. An experimental study has been conducted in June. The aim of this work is to study the effect of the distance between the cold condensing surface and the hot steam generation surface in order to optimize the geometric characteristics of a simple solar still. To do this, we have developed a mathematical model based on thermal and mass equations system. Subsequently, the equations system resolution has been made through a program developed on MATLAB software, which allowed us to evaluate the production of this system as a function of the distance separating the two surfaces. In addition, this model allowed us to determine the evolution of the humid air temperature inside the solar still as well as the humidity ratio profile all over the day. Simulations results show that the solar distiller production, as well as the humid air temperature, are proportional to the global solar radiation. It was also found that the air humidity ratio inside the solar still has a similar evolution of that of solar radiation. Moreover, the solar distiller average height augmentation, for constant water depth, induces the diminution of the production. However, increasing the water depth for a fixed average height of solar distiller reduces the production.

Keywords: distillation, solar energy, heat transfer, mass transfer, average height

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Authors: Sakina Fatima, Joseph-Patrick W. E. Clarke, Patricia A. Thibault, Subha Kalyaanamoorthy, Michael Levin, Aravindhan Ganesan

Abstract:

Heteronuclear ribonucleoprotein (hnRNPA1 or A1) is associated with the pathology of different diseases, including neurological disorders and cancers. In particular, the aggregation and dysfunction of A1 have been identified as a critical driver for neurodegeneration (NDG) in Multiple Sclerosis (MS). Structurally, A1 includes a low-complexity domain (LCD) and two RNA-recognition motifs (RRMs), and their interdomain coordination may play a crucial role in A1 aggregation. Previous studies propose that RNA-inhibitors or nucleoside analogs that bind to RRMs can potentially prevent A1 self-association. Therefore, molecular-level understanding of the structures, dynamics, and nucleotide interactions with A1 RRMs can be useful for developing therapeutics for NDG in MS. In this work, a combination of computational modelling and biochemical experiments were employed to analyze a set of RNA-A1 RRM complexes. Initially, the atomistic models of RNA-RRM complexes were constructed by modifying known crystal structures (e.g., PDBs: 4YOE and 5MPG), and through molecular docking calculations. The complexes were optimized using molecular dynamics simulations (200-400 ns), and their binding free energies were computed. The binding affinities of the selected complexes were validated using a thermal shift assay. Further, the most important molecular interactions that contributed to the overall stability of the RNA-A1 RRM complexes were deduced. The results highlight that adenine and guanine are the most suitable nucleotides for high-affinity binding with A1. These insights will be useful in the rational design of nucleotide-analogs for targeting A1 RRMs.

Keywords: hnRNPA1, molecular docking, molecular dynamics, RNA-binding proteins

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Authors: Gabriel Sanjo Aruwajoye, E. B. Gueguim Kana

Abstract:

Agricultural residues present a low-cost feedstock for bioenergy production around the world. Cassava peels waste are rich in organic molecules that can be readily converted to value added products such as biomaterials and biofuels. However, due to the presence of high proportion of structural carbohydrates and lignin, the hydrolysis of this feedstock is imperative to achieve maximum substrate utilization and energy yield. This study model and optimises the release of Fermentable Sugar (FS) from cassava peels waste using the Response Surface Methodology. The investigated pretreatment input parameters consisted of soaking temperature (oC), soaking time (hours), autoclave duration (minutes), acid concentration (% v/v), substrate solid loading (% w/v) within the range of 30 to 70, 0 to 24, 5 to 20, 0 to 5 and 2 to 10 respectively. The Box-Behnken design was used to generate 46 experimental runs which were investigated for FS release. The obtained data were used to fit a quadratic model. A coefficient of determination of 0.87 and F value of 8.73 was obtained indicating the good fitness of the model. The predicted optimum pretreatment conditions were 69.62 oC soaking temperature, 2.57 hours soaking duration, 5 minutes autoclave duration, 3.68 % v/v HCl and 9.65 % w/v solid loading corresponding to FS yield of 91.83g/l (0.92 g/g cassava peels) thus 58% improvement on the non-optimised pretreatment. Our findings demonstrate an efficient pretreatment model for fermentable sugar release from cassava peels waste for various bioprocesses.

Keywords: feedstock pretreatment, cassava peels, fermentable sugar, response surface methodology

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Authors: Ahmad Afif, Teuku Yuri M. Zagloel

Abstract:

Sustainable supply chain management is a new pattern that has emerged recently in industry and companies. The procurement process is one of the key factors for efficiency in supply chain management practices. Partnership is one of the procurement strategies for strategic items. The success factors of the partnership must be determined to avoid things that endanger the financial and operational status of the company. The current supplier partnership research focuses on the selection of general criteria and sustainable supplier selection. Currently, there is still limited research on the success factors of supplier partnerships that focus on strategic items in the coal mining industry. Meanwhile, the procurement of coal mining has its own characteristics, and there are regulations related to the procurement of goods. Therefore, this research was conducted to determine the categories of goods that are included in the strategic items and to design the success factors of supplier partnerships. The main factors studied are general, financial, production, reputation, synergies, and sustainable. The research was conducted using the Kraljic method to determine the categories of goods that are included in the strategic items. To design a supplier partnership success factor using the Hybrid Multi Criteria Decision Making method. Integrated Fuzzy AHP-Fuzzy TOPSIS is used to determine the weight of the success factors of supplier partnerships and to rank suppliers on the factors used.

Keywords: supplier, partnership, strategic item, success factors, and coal mining industry

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