Search results for: multi-scale computational modelling

Authors: Safee Chaudhary, Mahnoor Naseer Gondal, Hira Anees Awan, Abdul Rehman, Ammar Arif, Risham Hussain, Huma Khawar, Zainab Arshad, Muhammad Faizyab Ali Chaudhary, Waleed Ahmed, Muhammad Umer Sultan, Bibi Amina, Salaar Khan, Muhammad Moaz Ahmad, Osama Shiraz Shah, Hadia Hameed, Muhammad Farooq Ahmad Butt, Muhammad Ahmad, Sameer Ahmed, Fayyaz Ahmed, Omer Ishaq, Waqar Nabi, Wim Vanderbauwhede, Bilal Wajid, Huma Shehwana, Muhammad Tariq, Amir Faisal

Abstract:

Cancer is a manifestation of multifactorial deregulations in biomolecular pathways. These deregulations arise from the complex multi-scale interplay between cellular and extracellular factors. Such multifactorial aberrations at gene, protein, and extracellular scales need to be investigated systematically towards decoding the underlying mechanisms and orchestrating therapeutic interventions for patient treatment. In this work, we propose ‘TISON’, a next-generation web-based multiscale modeling platform for clinical systems oncology. TISON’s unique modeling abstraction allows a seamless coupling of information from biomolecular networks, cell decision circuits, extra-cellular environments, and tissue geometries. The platform can undertake multiscale sensitivity analysis towards in silico biomarker identification and drug evaluation on cellular phenotypes in user-defined tissue geometries. Furthermore, integration of cancer expression databases such as The Cancer Genome Atlas (TCGA) and Human Proteome Atlas (HPA) facilitates in the development of personalized therapeutics. TISON is the next-evolution of multiscale cancer modeling and simulation platforms and provides a ‘zero-code’ model development, simulation, and analysis environment for application in clinical settings.

Keywords: systems oncology, cancer systems biology, cancer therapeutics, personalized therapeutics, cancer modelling

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Authors: A. A. Abid

Abstract:

The magnetospheric multiscale (MMS) satellite observations in the inner magnetosphere were used to detect the proton band of the electromagnetic ion cyclotron (EMIC) waves on December 14, 2015, which have been significantly contributing to the dynamics of the magnetosphere. It has been examined that the intensity of EMIC waves gradually increases by decreasing the L shell. The waves are triggered by hot proton thermal anisotropy. The low-energy cold protons (ions) can be activated by the EMIC waves when the EMIC wave intensity is high. As a result, these previously invisible protons are now visible. As a result, the EMC waves also excite the helium ions. The EMIC waves, whose frequency in the magnetosphere of the Earth ranges from 0.001 Hz to 5 Hz, have drawn a lot of attention for their ability to carry energy. Since these waves act as a mechanism for the loss of energetic electrons from the Van Allen radiation belt to the atmosphere, therefore, it is necessary to understand how and where they can be produced, as well as the direction of waves along the magnetic field lines. This work examines how the excitation of EMIC waves is affected by the energy of hot proton temperature anisotropy, and It has a minimum resonance energy of 6.9 keV and a range of 7 to 26 keV. On the hot protons, however, the reverse effect can be seen for energies below the minimum resonance energy. It is demonstrated that throughout the energy range of 1 eV to 100 eV, the number density and temperature anisotropy of the protons likewise rise as the intensity of the EMIC waves increases. Key Points: 1. The analysis of EMIC waves produced by hot proton temperature anisotropy using MMS data. 2. The number density and temperature anisotropy of the cold protons increases owing to high-intensity EMIC waves. 3. The cold protons with an energy range of 1-100eV are energized by EMIC waves using the Magnetospheric Multiscale (MMS) satellite not been discussed before

Keywords: EMIC waves, temperature anisotropy of hot protons, energization of the cold proton, magnetospheric multiscale (MMS) satellite observations

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Authors: Y. Rae, A. Benaarbia, J. Hughes, Wei Sun

Abstract:

This paper describes an elasto-visco-plastic computational modelling method which can be used to assess the cyclic plasticity responses of high temperature structures operating under thermo-mechanical loadings. The material constitutive equation used is an improved unified multi-axial Chaboche-Lemaitre model, which takes into account non-linear kinematic and isotropic hardening. The computational methodology is a three-dimensional framework following an implicit formulation and based on a radial return mapping algorithm. The associated user material (UMAT) code is developed and calibrated across isothermal hold-time low cycle fatigue tests for a typical turbine rotor steel for use in finite element (FE) implementation. The model is applied to a realistic industrial gas turbine rotor, where the study focuses its attention on the deformation heterogeneities and critical high stress areas within the rotor structure. The potential improvements of such FE visco-plastic approach are discussed. An integrated life assessment procedure based on R5 and visco-plasticity modelling, is also briefly addressed.

Keywords: unified visco-plasticity, thermo-mechanical, turbine rotor, finite element modelling

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Authors: I. Hosni, L. Bennaceur Farah, N. Saber, R Bennaceur

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Soil moisture content is a key variable in many environmental sciences. Even though it represents a small proportion of the liquid freshwater on Earth, it modulates interactions between the land surface and the atmosphere, thereby influencing climate and weather. Accurate modeling of the above processes depends on the ability to provide a proper spatial characterization of soil moisture. The measurement of soil moisture content allows assessment of soil water resources in the field of hydrology and agronomy. The second parameter in interaction with the radar signal is the geometric structure of the soil. Most traditional electromagnetic models consider natural surfaces as single scale zero mean stationary Gaussian random processes. Roughness behavior is characterized by statistical parameters like the Root Mean Square (RMS) height and the correlation length. Then, the main problem is that the agreement between experimental measurements and theoretical values is usually poor due to the large variability of the correlation function, and as a consequence, backscattering models have often failed to predict correctly backscattering. In this study, surfaces are considered as band-limited fractal random processes corresponding to a superposition of a finite number of one-dimensional Gaussian process each one having a spatial scale. Multiscale roughness is characterized by two parameters, the first one is proportional to the RMS height, and the other one is related to the fractal dimension. Soil moisture is related to the complex dielectric constant. This multiscale description has been adapted to two-dimensional profiles using the bi-dimensional wavelet transform and the Mallat algorithm to describe more correctly natural surfaces. We characterize the soil surfaces and sub-surfaces by a three layers geo-electrical model. The upper layer is described by its dielectric constant, thickness, a multiscale bi-dimensional surface roughness model by using the wavelet transform and the Mallat algorithm, and volume scattering parameters. The lower layer is divided into three fictive layers separated by an assumed plane interface. These three layers were modeled by an effective medium characterized by an apparent effective dielectric constant taking into account the presence of air pockets in the soil. We have adopted the 2D multiscale three layers small perturbations model including, firstly air pockets in the soil sub-structure, and then a vegetable canopy in the soil surface structure, that is to simulate the radar backscattering. A sensitivity analysis of backscattering coefficient dependence on multiscale roughness and new soil moisture has been performed. Later, we proposed to change the dielectric constant of the multilayer medium because it takes into account the different moisture values of each layer in the soil. A sensitivity analysis of the backscattering coefficient, including the air pockets in the volume structure with respect to the multiscale roughness parameters and the apparent dielectric constant, was carried out. Finally, we proposed to study the behavior of the backscattering coefficient of the radar on a soil having a vegetable layer in its surface structure.

Keywords: multiscale, bidimensional, wavelets, backscattering, multilayer, SPM, air pockets

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Authors: Weikang Gong, Chunhua Li

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Dynamics plays an essential role in function exertion of proteins. Elastic network model (ENM), a harmonic potential-based and cost-effective computational method, is a valuable and efficient tool for characterizing the intrinsic dynamical properties encoded in biomacromolecule structures and has been widely used to detect the large-amplitude collective motions of proteins. Gaussian network model (GNM) and anisotropic network model (ANM) are the two often-used ENM models. In recent years, many ENM variants have been proposed. Here, we propose a small but effective modification (denoted as modified mENM) to the multiscale ENM (mENM) where fitting weights of Kirchhoff/Hessian matrixes with the least square method (LSM) is modified since it neglects the details of pairwise interactions. Then we perform its comparisons with the original mENM, traditional ENM, and parameter-free ENM (pfENM) on reproducing dynamical properties for the six representative proteins whose molecular dynamics (MD) trajectories are available in http://mmb.pcb.ub.es/MoDEL/. In the results, for B-factor prediction, mENM achieves the best performance among the four ENM models. Additionally, it is noted that with the weights of the multiscale Kirchhoff/Hessian matrixes modified, interestingly, the modified mGNM/mANM still has a much better performance than the corresponding traditional ENM and pfENM models. As to dynamical cross-correlation map (DCCM) calculation, taking the data obtained from MD trajectories as the standard, mENM performs the worst while the results produced by the modified mENM and pfENM models are close to those from MD trajectories with the latter a little better than the former. Generally, ANMs perform better than the corresponding GNMs except for the mENM. Thus, pfANM and the modified mANM, especially the former, have an excellent performance in dynamical cross-correlation calculation. Compared with GNMs (except for mGNM), the corresponding ANMs can capture quite a number of positive correlations for the residue pairs nearly largest distances apart, which is maybe due to the anisotropy consideration in ANMs. Furtherly, encouragingly the modified mANM displays the best performance in capturing the functional motional modes, followed by pfANM and traditional ANM models, while mANM fails in all the cases. This suggests that the consideration of long-range interactions is critical for ANM models to produce protein functional motions. Based on the analyses, the modified mENM is a promising method in capturing multiple dynamical characteristics encoded in protein structures. This work is helpful for strengthening the understanding of the elastic network model and provides a valuable guide for researchers to utilize the model to explore protein dynamics.

Keywords: elastic network model, ENM, multiscale ENM, molecular dynamics, parameter-free ENM, protein structure

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Authors: Vineeth Siripuram, Abhineet Nigam

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A bioreactor is an engineered system that supports a biologically active environment. Along the years, the advancements in bioreactors have been widely accepted all over the world for varied applications ranging from sewage treatment to tissue cloning. Driven by tissue and organ shortage, tissue engineering has emerged as an alternative to transplantation for the reconstruction of lost or damaged organs. In this study, Computational fluid dynamics (CFD) has been used to model porous medium flow in scaffolds (taken from the literature) with different flow patterns. A detailed analysis of different scaffold geometries and their influence on cell deposition in the perfusion system is been carried out using Computational fluid dynamics (CFD). Considering the fact that, the scaffold should mimic the organs or tissues structures in a three-dimensional manner, certain assumptions were made accordingly. The research on scaffolds has been extensively carried out in different bioreactors. However, there has been less focus on the morphology of the scaffolds and the flow patterns in which the perfusion system is laid upon. The objective of this paper is to employ a computational approach using CFD simulation to determine the optimal morphology and the anisotropic measurements of the various samples of scaffolds. Using predictive computational modelling approach, variables which exert dominant effects on the cell deposition within the scaffold were prioritised and corresponding changes in morphology of scaffold and flow patterns in the perfusion systems are made. A Eulerian approach was carried on in multiple CFD simulations, and it is observed that the morphological and topological changes in the scaffold perfusion system are of great importance in the commercial applications of scaffolds.

Keywords: cell seeding, CFD, flow patterns, modelling, perfusion systems, scaffold

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Authors: Sidique Gawusu, Xiaobing Zhang

Abstract:

Turbulence models play a significant role in all computational fluid dynamics based modelling approaches. There is, however, no general turbulence model suitable for all flow scenarios. Therefore, a successful numerical modelling approach is only achievable if a more appropriate closure model is used. This paper evaluates different turbulence models in numerical modelling of oil-water flow within the Eulerian-Eulerian approach. A comparison among the obtained numerical results and published benchmark data showed reasonable agreement. The domain was meshed using structured mesh, and grid test was performed to ascertain grid independence. The evaluation of the models was made through analysis of velocity and pressure profiles across the domain. The models were tested for their suitability to accurately obtain a scalable and precise numerical experience. As a result, it is found that all the models except Standard-ω provide comparable results. The study also revealed new insights on flow in porous media, specifically oil reservoirs.

Keywords: turbulence modelling, simulation, multi-phase flows, water-flooding, heavy oil

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Authors: Yogesh D. Bansod, Jiri Bursa

Abstract:

The quantitative study of cell mechanics is of paramount interest since it regulates the behavior of the living cells in response to the myriad of extracellular and intracellular mechanical stimuli. The novel experimental techniques together with robust computational approaches have given rise to new theories and models, which describe cell mechanics as a combination of biomechanical and biochemical processes. This review paper encapsulates the existing continuum-based computational approaches that have been developed for interpreting the mechanical responses of living cells under different loading and boundary conditions. The salient features and drawbacks of each model are discussed from both structural and biological points of view. This discussion can contribute to the development of even more precise and realistic computational models of cell mechanics based on continuum approaches or on their combination with microstructural approaches, which in turn may provide a better understanding of mechanotransduction in living cells.

Keywords: cell mechanics, computational models, continuum approach, mechanical models

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Authors: Amit Kamra, V. K. Jain, Pragya

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Mammography is widely used technique for breast cancer screening. There are various other techniques for breast cancer screening but mammography is the most reliable and effective technique. The images obtained through mammography are of low contrast which causes problem for the radiologists to interpret. Hence, a high quality image is mandatory for the processing of the image for extracting any kind of information from it. Many contrast enhancement algorithms have been developed over the years. In the present work, an efficient morphology based technique is proposed for contrast enhancement of masses in mammographic images. The proposed method is based on Multiscale Morphology and it takes into consideration the scale of the structuring element. The proposed method is compared with other state-of-the-art techniques. The experimental results show that the proposed method is better both qualitatively and quantitatively than the other standard contrast enhancement techniques.

Keywords: enhancement, mammography, multi-scale, mathematical morphology

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Authors: Gargi Phadke, Mugdha Joshi, Shamal Salunkhe

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Facial sketches are used as a crucial clue by criminal investigators for identification of suspects when the description of eyewitness or victims are only available as evidence. A forensic artist develops a sketch as per the verbal description is given by an eyewitness that shows the facial look of the culprit. In this paper, the fusion of Scale Invariant Feature Transform (SIFT) and multiscale local binary patterns (MLBP) are proposed as a feature to recognize a forensic face sketch images from a gallery of mugshot photos. This work focuses on comparative analysis of proposed scheme with existing algorithms in different challenges like illumination change and rotation condition. Experimental results show that proposed scheme can lead to better performance for the defined problem.

Keywords: SIFT feature, MLBP, PCA, face sketch

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Authors: Lal Hussain, Wajid Aziz, Imtiaz Ahmed Awan, Sharjeel Saeed

Abstract:

Multiscale entropy analysis (MSE) is a useful technique recently developed to quantify the dynamics of physiological signals at different time scales. This study is aimed at investigating the electroencephalogram (EEG) signals to analyze the background activity of alcoholic and control subjects by inspecting various coarse-grained sequences formed at different time scales. EEG recordings of alcoholic and control subjects were taken from the publically available machine learning repository of University of California (UCI) acquired using 64 electrodes. The MSE analysis was performed on the EEG data acquired from all the electrodes of alcoholic and control subjects. Mann-Whitney rank test was used to find significant differences between the groups and result were considered statistically significant for p-values<0.05. The area under receiver operator curve was computed to find the degree separation between the groups. The mean ranks of MSE values at all the times scales for all electrodes were higher control subject as compared to alcoholic subjects. Higher mean ranks represent higher complexity and vice versa. The finding indicated that EEG signals acquired through electrodes C3, C4, F3, F7, F8, O1, O2, P3, T7 showed significant differences between alcoholic and control subjects at time scales 1 to 5. Moreover, all electrodes exhibit significance level at different time scales. Likewise, the highest accuracy and separation was obtained at the central region (C3 and C4), front polar regions (P3, O1, F3, F7, F8 and T8) while other electrodes such asFp1, Fp2, P4 and F4 shows no significant results.

Keywords: electroencephalogram (EEG), multiscale sample entropy (MSE), Mann-Whitney test (MMT), Receiver Operator Curve (ROC), complexity analysis

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Authors: Abid Ali Abid

Abstract:

Electromagnetic ion cyclotron waves have been playing a significant role in inner magnetosphere, and their proton band has been detected using the Magnetospheric-Multiscale (MMS) satellite observations in the inner magnetosphere. It has been examined that the intensity of EMIC waves gradually increases by decreasing the L shell. Thermal anisotropy of hot protons initiates the waves. The low-energy cold protons (ions) can be activated by the EMIC waves when the EMIC wave intensity is high. As a result, these formerly invisible protons are now visible. The EMIC waves, whose frequency ranges from 0.001 Hz to 5 Hz in the inner magnetosphere and received considerable attention for energy transport across the magnetosphere. Since these waves act as a mechanism for the loss of energetic electrons from the Van Allen radiation belt to the atmosphere, therefore, it is necessary to understand how and where they can be produced, as well as the direction of waves along the magnetic field lines. It is demonstrated that throughout the energy range of 1 eV to 100 eV, the number density and temperature anisotropy of the protons likewise rise as the intensity of the EMIC waves increases.

Keywords: electromagnetic ion cyclotron waves, magnetospheric-multiscale (MMS) satellite, cold protons, inner magnetosphere

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Authors: Sakura Ganegama Bogodage, Andrew Yee Tat Leung

Abstract:

This paper describes experimental, Computational Fluid Dynamics (CFD) and theoretical analysis of a cyclone performance, operated 1.0 g/m3 solid loading rate, at two different inlet velocities (5 m/s and 10 m/s). Comparing experimental results with theoretical and CFD simulation results, it is pronounced that the influence of solid in processing flow is significant than expected. Experimental studies based on gas- solid flows of cyclone separators are complicated as they required advanced sensitive measuring techniques, especially flow characteristics. Thus, CFD modelling and theoretical analysis are economical in analyzing cyclone separator performance but detailed clarifications of the application of these in cyclone separator performance evaluation is not yet discussed. The present study shows the limitations of influencing parameters of CFD and theoretical considerations, comparing experimental results and flow characteristics from CFD modelling.

Keywords: cyclone performance, inlet velocity, pressure drop, solid loading rate

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Authors: Sirine Sayed, Mahrez Ait Mohammed, Mourad Nachtane, Abdelwahed Barkaoui, Khalid Bouziane, Mostapha Tarfaoui

Abstract:

This study addresses a critical challenge in transitioning to a hydrogen-based economy by introducing and validating a one-dimensional (1D) tool for modelling hydrogen permeability through hybrid materials, focusing on tank applications. The model developed integrates rigorous experimental validation, published data, and advanced computational modelling using the PanDiffusion framework, significantly enhancing its validity and applicability. By elucidating complex interactions between material properties, storage system configurations, and operational parameters, the tool demonstrates its capability to optimize design and operational parameters in real-world scenarios, as illustrated through a case study of hydrogen leakage. This comprehensive approach to assessing hydrogen permeability contributes significantly to overcoming key barriers in hydrogen infrastructure development, potentially accelerating the widespread adoption of hydrogen technology across various industrial sectors and marking a crucial step towards a more sustainable energy future.

Keywords: hydrogen storage, composite tank, permeability modelling, PanDiffusion, energy carrier, transportation technology

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Authors: Edwin Cartledge, Jack Clark, Mazaher Molaei-Chalchooghi

Abstract:

The mixing in the crystallization step of active pharmaceutical ingredient manufacturers was studied via advanced modeling tools to enable a successful scale-up. A virtual representation of the vessel was created, and computational fluid dynamics were used to simulate multiphase flow and, thus, the mixing environment within this vessel. The study identified a significant dead zone in the vessel underneath the impeller and found that increasing the impeller speed and power did not improve the mixing. A series of sensitivity analyses found that to improve mixing, the vessel had to be redesigned, and found that optimal mixing could be obtained by adding two extra cylindrical baffles. The same two baffles from the simulated environment were then constructed and added to the process vessel. By identifying these potential issues before starting the manufacture and modifying the vessel to ensure good mixing, this study mitigated a failed crystallization and potential batch disposal, which could have resulted in a significant loss of high-value material.

Keywords: active pharmaceutical ingredient, baffles, computational fluid dynamics, mixing, modelling

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Authors: A. A. Abid

Abstract:

Wave-particle interactions are considered to be the paramount in the transmission of energy in collisionless space plasmas, where electromagnetic fields confined the charged particles movement. One of the distinct features of energy transfer in collisionless plasma is wave-particle interaction which is ubiquitous in space plasmas. The three essential populations of the inner magnetosphere are cold plasmaspheric plasmas, ring-currents, and radiation belts high energy particles. The transition region amid such populations initiates wave-particle interactions among distinct plasmas and the wave mode perceived in the magnetosphere is the electromagnetic ion cyclotron (EMIC) wave. These waves can interact with numerous particle species resonantly, accompanied by plasma particle heating is still in debate. In this work we paid particular attention to how EMIC waves impact plasma species, specifically how they affect the heating of electrons and ions during storm and substorm in the Magnetosphere. Using Magnetospheric Multiscale (MMS) mission and electromagnetic hybrid simulation, this project will investigate the energy transfer mechanism (e.g., Landau interactions, bounce resonance interaction, cyclotron resonance interaction, etc.) between EMIC waves and cold-warm plasma populations. Other features such as the production of EMIC waves and the importance of cold plasma particles in EMIC wave-particle interactions will also be worth exploring. Wave particle interactions, electromagnetic hybrid simulation, electromagnetic ion cyclotron (EMIC) waves, Magnetospheric Multiscale (MMS) mission, space plasmas, inner magnetosphere

Keywords: MMS, magnetosphere, wave particle interraction, non-maxwellian distribution

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Authors: Reza Eslami-Farsani, Hamed Khosravi

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The aim of this work is to study the influence of multi-walled carbon nanotubes (MWCNTs) addition at various contents with respect to the matrix (0-0.5 wt.% at a step of 0.1 wt.%) on the compressive response of unidirectional basalt fiber (UD-BF)/epoxy composites. Toward this end, MWCNTs were firstly functionalized with 3-glycidoxypropyltrimethoxysilane (3-GPTMS) to improve their dispersion state and interfacial compatibility with the epoxy. Subsequently, UD-BF/epoxy and multiscale 3-GPTMS-MWCNTs/UD-BF/epoxy composites were prepared. The mechanical properties of the composites were determined by quasi-static compression test. The compressive strength of the composites was obtained through performing the compression test on the off-axis specimens and extracting their longitudinal compressive strength. Results demonstrated that the highest value in compressive strength was attained at 0.4 wt.% MWCNTs with 41% increase, compared to the BF/epoxy composite. Potential mechanisms behind these were implied.

Keywords: multiscale polymeric composites, unidirectional basalt fibers, multi-walled carbon nanotubes, surface modification, compressive properties

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Authors: Conrad Weber

Abstract:

The modelling of railway noise over large projects areas can be very time consuming in terms of preparing the noise models and calculation time. An open-source GIS program has been utilised to assist with the modelling of operational noise levels for 675km of railway corridor. A range of GIS algorithms were utilised to break up the noise model area into manageable calculation sizes. GIS was utilised to prepare and filter a range of noise modelling inputs, including building files, land uses and ground terrain. A spreadsheet was utilised to manage the accuracy of key input parameters, including train speeds, train types, curve corrections, bridge corrections and engine notch settings. GIS was utilised to present the final noise modelling results. This paper explains the noise modelling process and how the spreadsheet and GIS were utilised to accurately model this massive project efficiently.

Keywords: noise, modeling, GIS, rail

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Authors: Mohamed Z. M. Duwahir, Shian Gao

Abstract:

The main objective of this project was to introduce and test a new scheme for parameterization of subsonic aerofoil, using a function called Shape Function. Python programming was used to create a user interactive environment for geometry generation of aerofoil using NACA and Shape Function methodologies. Two aerofoils, NACA 0012 and NACA 1412, were generated using this function. Testing the accuracy of the Shape Function scheme was done by Linear Square Fitting using Python and CFD modelling the aerofoil in Fluent. NACA 0012 (symmetrical aerofoil) was better approximated using Shape Function than NACA 1412 (cambered aerofoil). The second part of the project involved comparing two turbulent models, k-ε and Spalart-Allmaras (SA), in Fluent by modelling the aerofoils NACA 0012 and NACA 1412 in conditions of Reynolds number of 3 × 106. It was shown that SA modelling is better for aerodynamic purpose. The experimental coefficient of lift (Cl) and coefficient of drag (Cd) were compared with empirical wind tunnel data for a range of angle of attack (AOA). As a further step, this project involved drawing and meshing 3D wings in Gambit. The 3D wing flow was solved and compared with 2D aerofoil section experimental results and wind tunnel data.

Keywords: CFD simulation, shape function, turbulent modelling, aerofoil

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Authors: Ibrahim Elnour Abdelrahman Eltayeb

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Computational modelling is a method used to investigate joint forces during a movement. It can get high accuracy in the joint forces via subject-specific models. However, the construction of subject-specific models remains time-consuming and expensive. The purpose of this paper was to identify what alterations we can make to generic computational models to get a better estimation of the joint forces. It appraised the impact of these alterations on the accuracy of the estimated joint forces. It found different strategies of alterations: joint model, muscle model, and an optimisation problem. All these alterations affected joint contact force accuracy, so showing the potential for improving the model predictions without involving costly and time-consuming medical images.

Keywords: joint force, joint model, optimisation problem, validation

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Authors: Samuel Ahamefula

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Turbulent motion is a highly nonlinear and complex phenomenon, and its modelling is still very challenging. In this study, we developed a hybrid computational approach to accurately simulate fluid turbulence phenomenon. The focus is coupling and transitioning between Direct Numerical Simulation (DNS) and Large Eddy Simulating Wall Models (LES-WM) regions. In the framework, high-order fidelity fluid dynamical methods are utilized to simulate the unsteady compressible Navier-Stokes equations in the Eulerian format on the unstructured moving grids. The coupling and transitioning of DNS and LES-WM are conducted through the linearly staggered Dirichlet-Neumann coupling scheme. The high-fidelity framework is verified and validated based on namely, DNS ability for capture full range of turbulent scales, giving accurate results and LES-WM efficiency in simulating near-wall turbulent boundary layer by using wall models.

Keywords: computational methods, turbulence modelling, turbulence entropy, navier-stokes equations

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Authors: Maxime A. J. Kuitche, Ruxandra M. Botez, Arthur Guillemin

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As the Unmanned Aerial Systems have found diverse utilities in both military and civil aviation, the necessity to obtain an accurate aerodynamic model has shown an enormous growth of interest. Recent modeling techniques are procedures using optimization algorithms and statistics that require many flight tests and are therefore extremely demanding in terms of costs. This paper presents a procedure to estimate the aerodynamic behavior of an unmanned aerial system from a numerical approach using computational fluid dynamic analysis. The study was performed using an unstructured mesh obtained from a grid convergence analysis at a Mach number of 0.14, and at an angle of attack of 0°. The flow around the aircraft was described using a standard k-ω turbulence model. Thus, the Reynold Averaged Navier-Stokes (RANS) equations were solved using ANSYS FLUENT software. The method was applied on the UAS-S45 designed and manufactured by Hydra Technologies in Mexico. The lift, the drag, and the pitching moment coefficients were obtained at different angles of attack for several flight conditions defined in terms of altitudes and Mach numbers. The results obtained from the Computational Fluid Dynamics analysis were compared with the results obtained by using the DATCOM semi-empirical procedure. This comparison has indicated that our approach is highly accurate and that the aerodynamic model obtained could be useful to estimate the flight dynamics of the UAS-S45.

Keywords: aerodynamic modelling, CFD Analysis, ANSYS FLUENT, UAS-S45

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Authors: Jaber H. Almutairi, Hosny Z. Abou-Ziyan, Issa F. Almesri, Mosab A. Alrahmani

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The present work investigates the behavior of fluid flow inside tunnel kilns using 3D-CFD (Computational Fluid Dynamics) simulations. The CFD simulations are carried out with the FLUENT software and validated against experimental results on fluid flow and heat transfer in tunnel kilns. A grid dependency study is conducted in the current work to improve the accuracy of the results. Three turbulence models k–ω, standard k–ε, and RNG k–ε are tested where k–ω model gives the best results in comparison with the experiment. The numerical results reveal an intriguing phenomenon where a long flow separation zone behind the setting is observed under different geometric and operation conditions. It was found that the uniformity of flow distribution can be substantially improved by rearranging the geometrical parameters of brick setting relative to kiln/setting. This improvement of flow distribution plays a critical role to enhance the quality and quantity of the production. It can be concluded that a better design and operation of tunnel kilns in terms of productivity and energy consumption can be obtained by taking into consideration the flow uniformity inside the tunnel kilns using CFD modelling.

Keywords: tunnel kilns, flow separation, flow uniformity, computational fluid dynamics

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Authors: Li Ji, Kaiwei Chu, Shibo Kuang, Aibing Yu

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Hydrocyclones are widely used to classify particles by size in industries such as mineral processing and chemical processing. The particles to be handled usually have a broad range of size distributions and sometimes density distributions, which has to be properly considered, causing challenges in the modelling of hydrocyclone. The combined approach of Computational Fluid Dynamics (CFD) and Discrete Element Method (DEM) offers convenience to model particle size/density distribution. However, its direct application to hydrocyclones is computationally prohibitive because there are billions of particles involved. In this work, a CFD-DEM model with the concept of the coarse-grained (CG) model is developed to model the solid-fluid flow in a hydrocyclone. The DEM is used to model the motion of discrete particles by applying Newton’s laws of motion. Here, a particle assembly containing a certain number of particles with same properties is treated as one CG particle. The CFD is used to model the liquid flow by numerically solving the local-averaged Navier-Stokes equations facilitated with the Volume of Fluid (VOF) model to capture air-core. The results are analyzed in terms of fluid and solid flow structures, and particle-fluid, particle-particle and particle-wall interaction forces. Furthermore, the calculated separation performance is compared with the measurements. The results obtained from the present study indicate that this approach can offer an alternative way to examine the flow and performance of hydrocyclones

Keywords: computational fluid dynamics, discrete element method, hydrocyclone, multiphase flow

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Authors: Yusuf S. Dambatta, Ahmed A. D. Sarhan

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Fused deposition modelling (FDM) is one of the most prominent rapid prototyping (RP) technologies which is being used to efficiently fabricate CAD 3D geometric models. However, the process is coupled with many drawbacks, of which the surface quality of the manufactured RP parts is among. Hence, studies relating to improving the surface roughness have been a key issue in the field of RP research. In this work, a technique of modelling the surface roughness in FDM is presented. Using experimentally measured surface roughness response of the FDM parts, an ANFIS prediction model was developed to obtain the surface roughness in the FDM parts using the main critical process parameters that affects the surface quality. The ANFIS model was validated and compared with experimental test results.

Keywords: surface roughness, fused deposition modelling (FDM), adaptive neuro fuzzy inference system (ANFIS), orientation

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Authors: P. Agnivesh, P. V. Ponambala Moorthi

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Evolution of information modelling leads to the visualisation of well-organized built environment. Building Information Modelling (BIM) is considered as evolution in the off-site construction which essentially enhances and controls the present scenario of on-site construction paradigms. Promptness, sustainability and security are considered as the important characteristics of the building information modelling. Projects that uses BIM are tied firmly by technology but distributed organizationally. This allows different team members in the project to associate and integrate the works and work flows. This will in turn improve the efficiency of work breakdown structure. Internationally BIM had been accepted as modern computer aided way of information sharing by construction industry for efficient way of manipulation in order to avoid the on-site misperceptions. Even though, in developing countries like India BIM is in the phase of start and requires lot of mandates and policies to be brought about by the government for its widespread implementations. This paper reviews the current scenario of BIM worldwide and in India and suggests for the improved implementation of building modelling for Indian policy condition.

Keywords: building information modelling, Indian polity, information modelling, information sharing, mandates and policies, sustainability.

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Authors: Saurav S. Rath, Birendra K. David

Abstract:

Generic pharmaceutical industry has to operate in strict timelines of product development and scale-up from lab to plant. Hence, detailed product & process understanding and implementation of appropriate mechanistic modelling and Quality-by-design (QbD) approaches are imperative in the product life cycle. This work provides example cases of such efforts in topical dosage products. Topical products are typically in the form of emulsions, gels, thick suspensions or even simple solutions. The efficacy of such products is determined by characteristics like rheology and morphology. Defining, and scaling up the right manufacturing process with a given set of ingredients, to achieve the right product characteristics presents as a challenge to the process engineer. For example, the non-Newtonian rheology varies not only with CPPs and CMAs but also is an implicit function of globule size (CQA). Hence, this calls for various mechanistic models, to help predict the product behaviour. This paper focusses on such models obtained from computational fluid dynamics (CFD) coupled with population balance modelling (PBM) and constitutive models (like shear, energy density). In a special case of the use of high shear homogenisers (HSHs) for the manufacture of thick emulsions/gels, this work presents some findings on (i) scale-up algorithm for HSH using shear strain, a novel scale-up parameter for estimating mixing parameters, (ii) non-linear relationship between viscosity and shear imparted into the system, (iii) effect of hold time on rheology of product. Specific examples of how this approach enabled scale-up across 1L, 10L, 200L, 500L and 1000L scales will be discussed.

Keywords: computational fluid dynamics, morphology, quality-by-design, rheology

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Authors: Athmane Bakhta, Sebastien Leclaire, David Vidal, Francois Bertrand, Mohamed Cheriet

Abstract:

This work presents a new three-dimensional variational model proposed for the simulation of ink seepage into paper sheets at the fiber level. The model, inspired by the Hising model, takes into account a finite volume of ink and describes the system state through gravity, cohesion, and adhesion force interactions. At the mesoscopic scale, the paper substrate is modeled using a discretized fiber structure generated using a numerical deposition procedure. A modified Monte Carlo method is introduced for the simulation of the ink dynamics. Besides, a multiphase lattice Boltzmann method is suggested to fine-tune the mesoscopic variational model parameters, and it is shown that the ink seepage behaviors predicted by the proposed model can resemble those predicted by a method relying on first principles.

Keywords: fibrous media, lattice Boltzmann, modelling and simulation, Monte Carlo, variational model

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Authors: Urbánek Jiří J., Krahulec Josef, Urbánek Jiří F., Johanidesová Jitka

Abstract:

These Computational assistance for the research and modelling of critical infrastructure subjects continuity deal with this paper. It enables us the using of prevailing operation system MS Office (SmartArt...) for mathematical models, using DYVELOP (Dynamic Vector Logistics of Processes) method. It serves for crisis situations investigation and modelling within the organizations of critical infrastructure. In the first part of the paper, it will be introduced entities, operators and actors of DYVELOP method. It uses just three operators of Boolean algebra and four types of the entities: the Environments, the Process Systems, the Cases and the Controlling. The Process Systems (PrS) have five “brothers”: Management PrS, Transformation PrS, Logistic PrS, Event PrS and Operation PrS. The Cases have three “sisters”: Process Cell Case, Use Case and Activity Case. They all need for the controlling of their functions special Ctrl actors, except ENV – it can do without Ctrl. Model´s maps are named the Blazons and they are able mathematically - graphically express the relationships among entities, actors and processes. In the second part of this paper, the rich blazons of DYVELOP method will be used for the discovering and modelling of the cycling cases and their phases. The blazons need live PowerPoint presentation for better comprehension of this paper mission. The crisis management of energetic crisis infrastructure organization is obliged to use the cycles for successful coping of crisis situations. Several times cycling of these cases is a necessary condition for the encompassment of the both the emergency event and the mitigation of organization´s damages. Uninterrupted and continuous cycling process bring for crisis management fruitfulness and it is a good indicator and controlling actor of organizational continuity and its sustainable development advanced possibilities. The research reliable rules are derived for the safety and reliable continuity of energetic critical infrastructure organization in the crisis situation.

Keywords: blazons, computational assistance, DYVELOP method, critical infrastructure

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Authors: Varun Dongre, Stefan Pirker, Stefan Heinrich

Abstract:

Over the last decades, the numerical modelling of fluidized bed processes has become feasible even for industrial processes. Commonly, continuous two-fluid models are applied to describe large-scale fluidization. In order to allow for coarse grids novel two-fluid models account for unresolved sub-grid heterogeneities. However, computational efforts remain high – in the order of several hours of compute-time for a few seconds of real-time – thus preventing the representation of long-term phenomena such as heating or particle conversion processes. In order to overcome this limitation, data-based recurrence computational fluid dynamics (rCFD) has been put forward in recent years. rCFD can be regarded as a data-based method that relies on the numerical predictions of a conventional short-term simulation. This data is stored in a database and then used by rCFD to efficiently time-extrapolate the flow behavior in high spatial resolution. This study will compare the numerical predictions of rCFD simulations with those of corresponding full CFD reference simulations for lab-scale and pilot-scale fluidized beds. In assessing the predictive capabilities of rCFD simulations, we focus on solid mixing and secondary gas holdup. We observed that predictions made by rCFD simulations are highly sensitive to numerical parameters such as diffusivity associated with face swaps. We achieved a computational speed-up of four orders of magnitude (10,000 time faster than classical TFM simulation) eventually allowing for real-time simulations of fluidized beds. In the next step, we apply the checkerboarding technique by introducing gas tracers subjected to convection and diffusion. We then analyze the concentration profiles by observing mixing, transport of gas tracers, insights about the convective and diffusive pattern of the gas tracers, and further towards heat and mass transfer methods. Finally, we run rCFD simulations and calibrate them with numerical and physical parameters compared with convectional Two-fluid model (full CFD) simulation. As a result, this study gives a clear indication of the applicability, predictive capabilities, and existing limitations of rCFD in the realm of fluidization modelling.

Keywords: multiphase flow, recurrence CFD, two-fluid model, industrial processes

Procedia PDF Downloads 75