Journal Description
Computation
Computation
is a peer-reviewed journal of computational science and engineering published monthly online by MDPI.
- Open Access— free for readers, with article processing charges (APC) paid by authors or their institutions.
- High Visibility: indexed within Scopus, ESCI (Web of Science), CAPlus / SciFinder, Inspec, dblp, and other databases.
- Journal Rank: CiteScore - Q2 (Applied Mathematics)
- Rapid Publication: manuscripts are peer-reviewed and a first decision is provided to authors approximately 18 days after submission; acceptance to publication is undertaken in 4.4 days (median values for papers published in this journal in the second half of 2023).
- Recognition of Reviewers: reviewers who provide timely, thorough peer-review reports receive vouchers entitling them to a discount on the APC of their next publication in any MDPI journal, in appreciation of the work done.
Impact Factor:
2.2 (2022);
5-Year Impact Factor:
2.2 (2022)
Latest Articles
Personalized Tourist Recommender System: A Data-Driven and Machine-Learning Approach
Computation 2024, 12(3), 59; https://doi.org/10.3390/computation12030059 - 18 Mar 2024
Abstract
This study introduces a data-driven and machine-learning approach to design a personalized tourist recommendation system for Nepal. It examines key tourist attributes, such as demographics, behaviors, preferences, and satisfaction, to develop four sub-models for data collection and machine learning. A structured survey is
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This study introduces a data-driven and machine-learning approach to design a personalized tourist recommendation system for Nepal. It examines key tourist attributes, such as demographics, behaviors, preferences, and satisfaction, to develop four sub-models for data collection and machine learning. A structured survey is conducted with 2400 international and domestic tourists, featuring 28 major questions and 125 variables. The data are preprocessed, and significant features are extracted to enhance the accuracy and efficiency of the machine-learning models. These models are evaluated using metrics such as accuracy, precision, recall, F-score, ROC, and lift curves. A comprehensive database for Pokhara City, Nepal, is developed from various sources that includes attributes such as location, cost, popularity, rating, ranking, and trend. The machine-learning models provide intermediate categorical recommendations, which are further mapped using a personalized recommender algorithm. This algorithm makes decisions based on weights assigned to each decision attribute to make the final recommendations. The system’s performance is compared with other popular recommender systems implemented by TripAdvisor, Google Maps, the Nepal tourism website, and others. It is found that the proposed system surpasses existing ones, offering more accurate and optimized recommendations to visitors in Pokhara. This study is a pioneering one and holds significant implications for the tourism industry and the governing sector of Nepal in enhancing the overall tourism business.
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(This article belongs to the Special Issue Intelligent Computing, Modeling and its Applications)
Open AccessReview
Accurate Height Determination in Uneven Terrains with Integration of Global Navigation Satellite System Technology and Geometric Levelling: A Case Study in Lebanon
by
Murat Mustafin and Hiba Moussa
Computation 2024, 12(3), 58; https://doi.org/10.3390/computation12030058 - 13 Mar 2024
Abstract
The technology for determining a point’s coordinates on the earth’s surface using the global navigation satellite system (GNSS) is becoming the norm along with ground-based methods. In this case, determining coordinates does not cause any particular difficulties. However, to identify normal heights using
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The technology for determining a point’s coordinates on the earth’s surface using the global navigation satellite system (GNSS) is becoming the norm along with ground-based methods. In this case, determining coordinates does not cause any particular difficulties. However, to identify normal heights using this technology with a given accuracy, special research is required. The fact is that satellite determinations of geodetic heights (h) over an ellipsoid surface differ from ground-based measurements of normal height (HN) over a quasi-geoid surface by a certain value called quasi-geoid height or height anomaly (ζ). In relation to determining heights of a certain territory, the concept of geoid height (N) is usually operated when dealing with a geoid model. In this work, geodetic and normal heights are determined for five control points in three different regions in Lebanon, where measurements are carried out using GNSS technology and geometric levelling. The obtained quasi-geoid heights are compared with geoid heights derived from the global Earth model EGM2008. The results obtained showed that, in the absence of gravimetric data, the combination of global Earth model data, geometric levelling for selected areas, and satellite determinations allows for the creation of a highly accurate altitude network for mountainous areas.
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(This article belongs to the Section Computational Engineering)
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Open AccessArticle
Turbomachinery GPU Accelerated CFD: An Insight into Performance
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Daniel Molinero-Hernández, Sergio R. Galván-González, Nicolás D. Herrera-Sandoval, Pablo Guzman-Avalos, J. Jesús Pacheco-Ibarra and Francisco J. Domínguez-Mota
Computation 2024, 12(3), 57; https://doi.org/10.3390/computation12030057 - 11 Mar 2024
Abstract
Driven by the emergence of Graphics Processing Units (GPUs), the solution of increasingly large and intricate numerical problems has become feasible. Yet, the integration of GPUs into Computational Fluid Dynamics (CFD) codes still presents a significant challenge. This study undertakes an evaluation of
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Driven by the emergence of Graphics Processing Units (GPUs), the solution of increasingly large and intricate numerical problems has become feasible. Yet, the integration of GPUs into Computational Fluid Dynamics (CFD) codes still presents a significant challenge. This study undertakes an evaluation of the computational performance of GPUs for CFD applications. Two Compute Unified Device Architecture (CUDA)-based implementations within the Open Field Operation and Manipulation (OpenFOAM) environment were employed for the numerical solution of a 3D Kaplan turbine draft tube workbench. A series of tests were conducted to assess the fixed-size grid problem speedup in accordance with Amdahl’s Law. Additionally, tests were performed to identify the optimal configuration utilizing various linear solvers, preconditioners, and smoothers, along with an analysis of memory usage.
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(This article belongs to the Special Issue Emerging Trends and Applications in High-Fidelity Computational Fluid Dynamics Simulation)
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Open AccessCorrection
Correction: Ghnatios et al. A Regularized Real-Time Integrator for Data-Driven Control of Heating Channels. Computation 2022, 10, 176
by
Chady Ghnatios, Victor Champaney, Angelo Pasquale and Francisco Chinesta
Computation 2024, 12(3), 56; https://doi.org/10.3390/computation12030056 - 11 Mar 2024
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There was an error in the original publication, section data availability, stating “Data is available upon request” [...]
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Open AccessArticle
Group Classification for the Search and Identification of Related Patterns Using a Variety of Multivariate Techniques
by
Nisa Boukichou-Abdelkader, Miguel Ángel Montero-Alonso and Alberto Muñoz-García
Computation 2024, 12(3), 55; https://doi.org/10.3390/computation12030055 - 09 Mar 2024
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Recently, many methods and algorithms have been developed that can be quickly adapted to different situations within a population of interest, especially in the health sector. Success has been achieved by generating better models and higher-quality results to facilitate decision making, as well
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Recently, many methods and algorithms have been developed that can be quickly adapted to different situations within a population of interest, especially in the health sector. Success has been achieved by generating better models and higher-quality results to facilitate decision making, as well as to propose new diagnostic procedures and treatments adapted to each patient. These models can also improve people’s quality of life, dissuade bad health habits, reinforce good habits, and modify the pre-existing ones. In this sense, the objective of this study was to apply supervised and unsupervised classification techniques, where the clustering algorithm was the key factor for grouping. This led to the development of three optimal groups of clinical pattern based on their characteristics. The supervised classification methods used in this study were Correspondence (CA) and Decision Trees (DT), which served as visual aids to identify the possible groups. At the same time, they were used as exploratory mechanisms to confirm the results for the existing information, which enhanced the value of the final results. In conclusion, this multi-technique approach was found to be a feasible method that can be used in different situations when there are sufficient data. It was thus necessary to reduce the dimensional space, provide missing values for high-quality information, and apply classification models to search for patterns in the clinical profiles, with a view to grouping the patients efficiently and accurately so that the clinical results can be applied in other research studies.
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Open AccessArticle
Creation of a Simulated Sequence of Dynamic Susceptibility Contrast—Magnetic Resonance Imaging Brain Scans as a Tool to Verify the Quality of Methods for Diagnosing Diseases Affecting Brain Tissue Perfusion
by
Seweryn Lipiński
Computation 2024, 12(3), 54; https://doi.org/10.3390/computation12030054 - 08 Mar 2024
Abstract
DSC-MRI examination is one of the best methods of diagnosis for brain diseases. For this purpose, the so-called perfusion parameters are defined, of which the most used are CBF, CBV, and MTT. There are many approaches to determining these parameters, but regardless of
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DSC-MRI examination is one of the best methods of diagnosis for brain diseases. For this purpose, the so-called perfusion parameters are defined, of which the most used are CBF, CBV, and MTT. There are many approaches to determining these parameters, but regardless of the approach, there is a problem with the quality assessment of methods. To solve this problem, this article proposes virtual DSC-MRI brain examination, which consists of two steps. The first step is to create curves that are typical for DSC-MRI studies and characteristic of different brain regions, i.e., the gray and white matter, and blood vessels. Using perfusion descriptors, the curves are classified into three sets, which give us the model curves for each of the three regions. The curves corresponding to the perfusion of different regions of the brain in a suitable arrangement (consistent with human anatomy) form a model of the DSC-MRI examination. In the created model, one knows in advance the values of the complex perfusion parameters, as well as basic perfusion descriptors. The shown model study can be disturbed in a controlled manner—not only by adding noise, but also by determining the location of disturbances that are characteristic of specific brain diseases.
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(This article belongs to the Special Issue Computational Medical Image Analysis)
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Open AccessArticle
Taylor Polynomials in a High Arithmetic Precision as Universal Approximators
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Nikolaos Bakas
Computation 2024, 12(3), 53; https://doi.org/10.3390/computation12030053 - 07 Mar 2024
Abstract
Function approximation is a fundamental process in a variety of problems in computational mechanics, structural engineering, as well as other domains that require the precise approximation of a phenomenon with an analytic function. This work demonstrates a unified approach to these techniques, utilizing
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Function approximation is a fundamental process in a variety of problems in computational mechanics, structural engineering, as well as other domains that require the precise approximation of a phenomenon with an analytic function. This work demonstrates a unified approach to these techniques, utilizing partial sums of the Taylor series in a high arithmetic precision. In particular, the proposed approach is capable of interpolation, extrapolation, numerical differentiation, numerical integration, solution of ordinary and partial differential equations, and system identification. The method employs Taylor polynomials and hundreds of digits in the computations to obtain precise results. Interestingly, some well-known problems are found to arise in the calculation accuracy and not methodological inefficiencies, as would be expected. In particular, the approximation errors are precisely predictable, the Runge phenomenon is eliminated, and the extrapolation extent may a priory be anticipated. The attained polynomials offer a precise representation of the unknown system as well as its radius of convergence, which provides a rigorous estimation of the prediction ability. The approximation errors are comprehensively analyzed for a variety of calculation digits and test problems and can be reproduced by the provided computer code.
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(This article belongs to the Special Issue Computational Methods in Structural Engineering)
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Open AccessArticle
Algorithm for Propeller Optimization Based on Differential Evolution
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Andry Sedelnikov, Evgenii Kurkin, Jose Gabriel Quijada-Pioquinto, Oleg Lukyanov, Dmitrii Nazarov, Vladislava Chertykovtseva, Ekaterina Kurkina and Van Hung Hoang
Computation 2024, 12(3), 52; https://doi.org/10.3390/computation12030052 - 06 Mar 2024
Abstract
This paper describes the development of a methodology for air propeller optimization using Bezier curves to describe blade geometry. The proposed approach allows for more flexibility in setting the propeller shape, for example, using a variable airfoil over the blade span. The goal
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This paper describes the development of a methodology for air propeller optimization using Bezier curves to describe blade geometry. The proposed approach allows for more flexibility in setting the propeller shape, for example, using a variable airfoil over the blade span. The goal of optimization is to identify the appropriate geometry of a propeller that reduces the power required to achieve a given thrust. Because the proposed optimization problem is a constrained optimization process, the technique of generating a penalty function was used to convert the process into a nonconstrained optimization. For the optimization process, a variant of the differential evolution algorithm was used, which includes adaptive techniques of the evolutionary operators and a population size reduction method. The aerodynamic characteristics of the propellers were obtained using the similar to blade element momentum theory (BEMT) isolated section method (ISM) and the XFOIL program. Replacing the angle of geometric twist with the angle of attack of the airfoil section as a design variable made it possible to increase the robustness of the optimization algorithm and reduce the calculation time. The optimization technique was implemented in the OpenVINT code and has been used to design helicopter and tractor propellers for unmanned aerial vehicles. The development algorithm was validated experimentally and using CFD numerical method. The experimental tests confirm that the optimized propeller geometry is superior to commercial analogues available on the market.
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(This article belongs to the Special Issue Computational Advances in Aerospace Engineering: Modeling, Simulation and Aerospace Systems Testing)
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Open AccessArticle
Extension of Cubic B-Spline for Solving the Time-Fractional Allen–Cahn Equation in the Context of Mathematical Physics
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Mubeen Fatima, Ravi P. Agarwal, Muhammad Abbas, Pshtiwan Othman Mohammed, Madiha Shafiq and Nejmeddine Chorfi
Computation 2024, 12(3), 51; https://doi.org/10.3390/computation12030051 - 05 Mar 2024
Abstract
A B-spline is defined by the degree and quantity of knots, and it is observed to provide a higher level of flexibility in curve and surface layout. The extended cubic B-spline (ExCBS) functions with new approximation for second derivative and finite difference technique
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A B-spline is defined by the degree and quantity of knots, and it is observed to provide a higher level of flexibility in curve and surface layout. The extended cubic B-spline (ExCBS) functions with new approximation for second derivative and finite difference technique are incorporated in this study to solve the time-fractional Allen–Cahn equation (TFACE). Initially, Caputo’s formula is used to discretize the time-fractional derivative, while a new ExCBS is used for the spatial derivative’s discretization. Convergence analysis is carried out and the stability of the proposed method is also analyzed. The scheme’s applicability and feasibility are demonstrated through numerical analysis.
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(This article belongs to the Special Issue Advanced Numerical Methods for Solving Differential Equations with Applications in Science and Engineering)
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Open AccessArticle
Numerical Covariance Evaluation for Linear Structures Subject to Non-Stationary Random Inputs
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M. Domaneschi, R. Cucuzza, L. Sardone, S. Londoño Lopez, M. Movahedi and G. C. Marano
Computation 2024, 12(3), 50; https://doi.org/10.3390/computation12030050 - 05 Mar 2024
Abstract
Random vibration analysis is a mathematical tool that offers great advantages in predicting the mechanical response of structural systems subjected to external dynamic loads whose nature is intrinsically stochastic, as in cases of sea waves, wind pressure, and vibrations due to road asperity.
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Random vibration analysis is a mathematical tool that offers great advantages in predicting the mechanical response of structural systems subjected to external dynamic loads whose nature is intrinsically stochastic, as in cases of sea waves, wind pressure, and vibrations due to road asperity. Using random vibration analysis is possible, when the input is properly modeled as a stochastic process, to derive pieces of information about the structural response with a high quality (if compared with other tools), especially in terms of reliability prevision. Moreover, the random vibration approach is quite complex in cases of non-linearity cases, as well as for non-stationary inputs, as in cases of seismic events. For non-stationary inputs, the assessment of second-order spectral moments requires resolving the Lyapunov matrix differential equation. In this research, a numerical procedure is proposed, providing an expression of response in the state-space that, to our best knowledge, has not yet been presented in the literature, by using a formal justification in accordance with earthquake input modeled as a modulated white noise with evolutive parameters. The computational efforts are reduced by considering the symmetry feature of the covariance matrix. The adopted approach is applied to analyze a multi-story building, aiming to determine the reliability related to the maximum inter-story displacement surpassing a specified acceptable threshold. The building is presumed to experience seismic input characterized by a non-stationary process in both amplitude and frequency, utilizing a general Kanai–Tajimi earthquake input stationary model. The adopted case study is modeled in the form of a multi-degree-of-freedom plane shear frame system.
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(This article belongs to the Special Issue Computational Methods in Structural Engineering)
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Systematic Investigation of the Explicit, Dynamically Consistent Methods for Fisher’s Equation
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Husniddin Khayrullaev, Issa Omle and Endre Kovács
Computation 2024, 12(3), 49; https://doi.org/10.3390/computation12030049 - 04 Mar 2024
Abstract
We systematically investigate the performance of numerical methods to solve Fisher’s equation, which contains a linear diffusion term and a nonlinear logistic term. The usual explicit finite difference algorithms are only conditionally stable for this equation, and they can yield concentrations below zero
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We systematically investigate the performance of numerical methods to solve Fisher’s equation, which contains a linear diffusion term and a nonlinear logistic term. The usual explicit finite difference algorithms are only conditionally stable for this equation, and they can yield concentrations below zero or above one, even if they are stable. Here, we collect the stable and explicit algorithms, most of which we invented recently. All of them are unconditionally dynamically consistent for Fisher’s equation; thus, the concentration remains in the unit interval for arbitrary parameters. We perform tests in the cases of 1D and 2D systems to explore how the errors depend on the coefficient of the nonlinear term, the stiffness ratio, and the anisotropy of the system. We also measure running times and recommend which algorithms should be used in specific circumstances.
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(This article belongs to the Special Issue Advanced Numerical Methods for Solving Differential Equations with Applications in Science and Engineering)
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Open AccessArticle
Analyzing the MHD Bioconvective Eyring–Powell Fluid Flow over an Upright Cone/Plate Surface in a Porous Medium with Activation Energy and Viscous Dissipation
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Francis Peter, Paulsamy Sambath and Seshathiri Dhanasekaran
Computation 2024, 12(3), 48; https://doi.org/10.3390/computation12030048 - 04 Mar 2024
Abstract
In the field of heat and mass transfer applications, non-Newtonian fluids are potentially considered to play a very important role. This study examines the magnetohydrodynamic (MHD) bioconvective Eyring–Powell fluid flow on a permeable cone and plate, considering the viscous dissipation (0.3 ≤ E
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In the field of heat and mass transfer applications, non-Newtonian fluids are potentially considered to play a very important role. This study examines the magnetohydrodynamic (MHD) bioconvective Eyring–Powell fluid flow on a permeable cone and plate, considering the viscous dissipation (0.3 ≤ Ec ≤0.7), the uniform heat source/sink (−0.1 ≤ Q0 ≤ 0.1), and the activation energy (−1 ≤ E1 ≤ 1). The primary focus of this study is to examine how MHD and porosity impact heat and mass transfer in a fluid with microorganisms. A similarity transformation (ST) changes the nonlinear partial differential equations (PDEs) into ordinary differential equations (ODEs). The Keller Box (KB) finite difference method solves these equations. Our findings demonstrate that adding MHD (0.5 ≤ M ≤ 0.9) and porosity (0.3 ≤ Γ ≤ 0.7) effects improves microbial diffusion, boosting the rates of mass and heat transfer. Our comparison of our findings to prior studies shows that they are reliable.
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(This article belongs to the Section Computational Engineering)
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Open AccessStudy Protocol
Artificial Intelligence Techniques and Pedigree Charts in Oncogenetics: Towards an Experimental Multioutput Software System for Digitization and Risk Prediction
by
Luana Conte, Emanuele Rizzo, Tiziana Grassi, Francesco Bagordo, Elisabetta De Matteis and Giorgio De Nunzio
Computation 2024, 12(3), 47; https://doi.org/10.3390/computation12030047 - 03 Mar 2024
Abstract
Pedigree charts remain essential in oncological genetic counseling for identifying individuals with an increased risk of developing hereditary tumors. However, this valuable data source often remains confined to paper files, going unused. We propose a computer-aided detection/diagnosis system, based on machine learning and
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Pedigree charts remain essential in oncological genetic counseling for identifying individuals with an increased risk of developing hereditary tumors. However, this valuable data source often remains confined to paper files, going unused. We propose a computer-aided detection/diagnosis system, based on machine learning and deep learning techniques, capable of the following: (1) assisting genetic oncologists in digitizing paper-based pedigree charts, and in generating new digital ones, and (2) automatically predicting the genetic predisposition risk directly from these digital pedigree charts. To the best of our knowledge, there are no similar studies in the current literature, and consequently, no utilization of software based on artificial intelligence on pedigree charts has been made public yet. By incorporating medical images and other data from omics sciences, there is also a fertile ground for training additional artificial intelligence systems, broadening the software predictive capabilities. We plan to bridge the gap between scientific advancements and practical implementation by modernizing and enhancing existing oncological genetic counseling services. This would mark the pioneering development of an AI-based application designed to enhance various aspects of genetic counseling, leading to improved patient care and advancements in the field of oncogenetics.
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(This article belongs to the Special Issue Computational Biology and High-Performance Computing)
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Boundary Layer Stagnation Point Flow and Heat Transfer over a Nonlinear Stretching/Shrinking Sheet in Hybrid Carbon Nanotubes: Numerical Analysis and Response Surface Methodology under the Influence of Magnetohydrodynamics
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Nazrul Azlan Abdul Samat, Norfifah Bachok and Norihan Md Arifin
Computation 2024, 12(3), 46; https://doi.org/10.3390/computation12030046 - 03 Mar 2024
Abstract
The present study aims to offer new numerical solutions and optimisation strategies for the fluid flow and heat transfer behaviour at a stagnation point through a nonlinear sheet that is expanding or contracting in water-based hybrid nanofluids. Most hybrid nanofluids typically use metallic
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The present study aims to offer new numerical solutions and optimisation strategies for the fluid flow and heat transfer behaviour at a stagnation point through a nonlinear sheet that is expanding or contracting in water-based hybrid nanofluids. Most hybrid nanofluids typically use metallic nanoparticles. However, we deliver a new approach by combining single- and multi-walled carbon nanotubes (SWCNTs-MWCNTs). The flow is presumptively steady, laminar, and surrounded by a constant temperature of the ambient and body walls. By using similarity variables, a model of partial differential equations (PDEs) with the magnetohydrodynamics (MHD) effect on the momentum equation is converted into a model of non-dimensional ordinary differential equations (ODEs). Then, the dimensionless first-order ODEs are solved numerically using the MATLAB R2022b bvp4C program. In order to explore the range of computational solutions and physical quantities, several dimensionless variables are manipulated, including the magnetic parameter, the stretching/shrinking parameter, and the volume fraction parameters of hybrid and mono carbon nanotubes. To enhance the originality and effectiveness of this study for practical applications, we optimise the heat transfer coefficient via the response surface methodology (RSM). We apply a face-centred central composite design (CCF) and perform the CCF using Minitab. All of our findings are presented and illustrated in tabular and graphic form. We have made notable contributions in the disciplines of mathematical analysis and fluid dynamics. From our observations, we find that multiple solutions appear when the magnetic parameter is less than 1. We also detect double solutions in the shrinking region. Furthermore, the increase in the magnetic parameter and SWCNTs-MWCNTs volume fraction parameter increases both the skin friction coefficient and the local Nusselt number. To compare the performance of hybrid nanofluids and mono nanofluids, we note that hybrid nanofluids work better than single nanofluids both in skin friction and heat transfer coefficients.
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(This article belongs to the Special Issue 10th Anniversary of Computation—Computational Heat and Mass Transfer (ICCHMT 2023))
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Unraveling the Dual Inhibitory Mechanism of Compound 22ac: A Molecular Dynamics Investigation into ERK1 and ERK5 Inhibition in Cancer
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Elliasu Y. Salifu, Mbuso A. Faya, James Abugri and Pritika Ramharack
Computation 2024, 12(3), 45; https://doi.org/10.3390/computation12030045 - 01 Mar 2024
Abstract
Cancer remains a major challenge in the field of medicine, necessitating innovative therapeutic strategies. Mitogen-activated protein kinase (MAPK) signaling pathways, particularly Extracellular Signal-Regulated Kinase 1 and 2 (ERK1/2), play pivotal roles in cancer pathogenesis. Recently, ERK5 (also known as MAPK7) has emerged as
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Cancer remains a major challenge in the field of medicine, necessitating innovative therapeutic strategies. Mitogen-activated protein kinase (MAPK) signaling pathways, particularly Extracellular Signal-Regulated Kinase 1 and 2 (ERK1/2), play pivotal roles in cancer pathogenesis. Recently, ERK5 (also known as MAPK7) has emerged as an attractive target due to its compensatory role in cancer progression upon termination of ERK1 signaling. This study explores the potential of Compound 22ac, a novel small molecule inhibitor, to simultaneously target both ERK1 and ERK5 in cancer cells. Using molecular dynamics simulations, we investigate the binding affinity, conformational dynamics, and stability of Compound 22ac when interacting with ERK1 and ERK5. Our results indicate that Compound 22ac forms strong interactions with key residues in the ATP-binding pocket of both ERK1 and ERK5, effectively inhibiting their catalytic activity. Furthermore, the simulations reveal subtle differences in the binding modes of Compound 22ac within the two kinases, shedding light on the dual inhibitory mechanism. This research not only elucidates a structural mechanism of action of Compound 22ac, but also highlights its potential as a promising therapeutic agent for cancer treatment. The dual inhibition of ERK1 and ERK5 by Compound 22ac offers a novel approach to disrupting the MAPK signaling cascade, thereby hindering cancer progression. These findings may contribute to the development of targeted therapies that could improve the prognosis for cancer patients.
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(This article belongs to the Special Issue 10th Anniversary of Computation—Computational Chemistry)
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A Deep Learning Approach for Brain Tumor Firmness Detection Based on Five Different YOLO Versions: YOLOv3–YOLOv7
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Norah Fahd Alhussainan, Belgacem Ben Youssef and Mohamed Maher Ben Ismail
Computation 2024, 12(3), 44; https://doi.org/10.3390/computation12030044 - 01 Mar 2024
Abstract
Brain tumor diagnosis traditionally relies on the manual examination of magnetic resonance images (MRIs), a process that is prone to human error and is also time consuming. Recent advancements leverage machine learning models to categorize tumors, such as distinguishing between “malignant” and “benign”
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Brain tumor diagnosis traditionally relies on the manual examination of magnetic resonance images (MRIs), a process that is prone to human error and is also time consuming. Recent advancements leverage machine learning models to categorize tumors, such as distinguishing between “malignant” and “benign” classes. This study focuses on the supervised machine learning task of classifying “firm” and “soft” meningiomas, critical for determining optimal brain tumor treatment. The research aims to enhance meningioma firmness detection using state-of-the-art deep learning architectures. The study employs a YOLO architecture adapted for meningioma classification (Firm vs. Soft). This YOLO-based model serves as a machine learning component within a proposed CAD system. To improve model generalization and combat overfitting, transfer learning and data augmentation techniques are explored. Intra-model analysis is conducted for each of the five YOLO versions, optimizing parameters such as the optimizer, batch size, and learning rate based on sensitivity and training time. YOLOv3, YOLOv4, and YOLOv7 demonstrate exceptional sensitivity, reaching 100%. Comparative analysis against state-of-the-art models highlights their superiority. YOLOv7, utilizing the SGD optimizer, a batch size of 64, and a learning rate of 0.01, achieves outstanding overall performance with metrics including mean average precision (99.96%), precision (98.50%), specificity (97.95%), balanced accuracy (98.97%), and F1-score (99.24%). This research showcases the effectiveness of YOLO architectures in meningioma firmness detection, with YOLOv7 emerging as the optimal model. The study’s findings underscore the significance of model selection and parameter optimization for achieving high sensitivity and robust overall performance in brain tumor classification.
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(This article belongs to the Special Issue Deep Learning Applications in Medical Imaging)
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Entropy Generation and Thermal Radiation Impact on Magneto-Convective Flow of Heat-Generating Hybrid Nano-Liquid in a Non-Darcy Porous Medium with Non-Uniform Heat Flux
by
Nora M. Albqmi and Sivasankaran Sivanandam
Computation 2024, 12(3), 43; https://doi.org/10.3390/computation12030043 - 29 Feb 2024
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The principal objective of the study is to examine the impact of thermal radiation and entropy generation on the magnetohydrodynamic hybrid nano-fluid, Al2O3/H2O, flow in a Darcy–Forchheimer porous medium with variable heat flux when subjected to an
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The principal objective of the study is to examine the impact of thermal radiation and entropy generation on the magnetohydrodynamic hybrid nano-fluid, Al2O3/H2O, flow in a Darcy–Forchheimer porous medium with variable heat flux when subjected to an electric field. Investigating the impact of thermal radiation and non-uniform heat flux on the hybrid nano-liquid magnetohydrodynamic flow in a non-Darcy porous environment produces novel and insightful findings. Thus, the goal of the current study is to investigate this. The non-linear governing equation can be viewed as a set of ordinary differential equations by applying the proper transformations. The resultant dimensionless model is numerically solved in Matlab using the command. We obtain numerical results for the temperature and velocity distributions, skin friction, and local Nusselt number across a broad range of controlling parameters. We found a significant degree of agreement with other research that has been compared with the literature. The results show that an increase in the Reynolds and Brinckmann numbers corresponds to an increase in entropy production. Furthermore, a high electric field accelerates fluid velocity, whereas the unsteadiness parameter and the presence of a magnetic field slow it down. This study is beneficial to other researchers as well as technical applications in thermal science because it discusses the factors that lead to the working hybrid nano-liquid thermal enhancement.
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Open AccessArticle
Predicting Time-to-Healing from a Digital Wound Image: A Hybrid Neural Network and Decision Tree Approach Improves Performance
by
Aravind Kolli, Qi Wei and Stephen A. Ramsey
Computation 2024, 12(3), 42; https://doi.org/10.3390/computation12030042 - 28 Feb 2024
Abstract
Despite the societal burden of chronic wounds and despite advances in image processing, automated image-based prediction of wound prognosis is not yet in routine clinical practice. While specific tissue types are known to be positive or negative prognostic indicators, image-based wound healing prediction
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Despite the societal burden of chronic wounds and despite advances in image processing, automated image-based prediction of wound prognosis is not yet in routine clinical practice. While specific tissue types are known to be positive or negative prognostic indicators, image-based wound healing prediction systems that have been demonstrated to date do not (1) use information about the proportions of tissue types within the wound and (2) predict time-to-healing (most predict categorical clinical labels). In this work, we analyzed a unique dataset of time-series images of healing wounds from a controlled study in dogs, as well as human wound images that are annotated for the tissue type composition. In the context of a hybrid-learning approach (neural network segmentation and decision tree regression) for the image-based prediction of time-to-healing, we tested whether explicitly incorporating tissue type-derived features into the model would improve the accuracy for time-to-healing prediction versus not including such features. We tested four deep convolutional encoder–decoder neural network models for wound image segmentation and identified, in the context of both original wound images and an augmented wound image-set, that a SegNet-type network trained on an augmented image set has best segmentation performance. Furthermore, using three different regression algorithms, we evaluated models for predicting wound time-to-healing using features extracted from the four best-performing segmentation models. We found that XGBoost regression using features that are (i) extracted from a SegNet-type network and (ii) reduced using principal components analysis performed the best for time-to-healing prediction. We demonstrated that a neural network model can classify the regions of a wound image as one of four tissue types, and demonstrated that adding features derived from the superpixel classifier improves the performance for healing-time prediction.
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(This article belongs to the Special Issue Computational Medical Image Analysis)
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Physically Informed Deep Learning Technique for Estimating Blood Flow Parameters in Four-Vessel Junction after the Fontan Procedure
by
Alexander Isaev, Tatiana Dobroserdova, Alexander Danilov and Sergey Simakov
Computation 2024, 12(3), 41; https://doi.org/10.3390/computation12030041 - 25 Feb 2024
Abstract
This study introduces an innovative approach leveraging physics-informed neural networks (PINNs) for the efficient computation of blood flows at the boundaries of a four-vessel junction formed by a Fontan procedure. The methodology incorporates a 3D mesh generation technique based on the parameterization of
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This study introduces an innovative approach leveraging physics-informed neural networks (PINNs) for the efficient computation of blood flows at the boundaries of a four-vessel junction formed by a Fontan procedure. The methodology incorporates a 3D mesh generation technique based on the parameterization of the junction’s geometry, coupled with an advanced physically regularized neural network architecture. Synthetic datasets are generated through stationary 3D Navier–Stokes simulations within immobile boundaries, offering a precise alternative to resource-intensive computations. A comparative analysis of standard grid sampling and Latin hypercube sampling data generation methods is conducted, resulting in datasets comprising and samples, respectively. The following two families of feed-forward neural networks (FFNNs) are then compared: the conventional “black-box” approach using mean squared error (MSE) and a physically informed FFNN employing a physically regularized loss function (PRLF), incorporating mass conservation law. The study demonstrates that combining PRLF with Latin hypercube sampling enables the rapid minimization of relative error (RE) when using a smaller dataset, achieving a relative error value of on the test set. This approach offers a viable alternative to resource-intensive simulations, showcasing potential applications in patient-specific 1D network models of hemodynamics.
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(This article belongs to the Special Issue 10th Anniversary of Computation—Computational Biology)
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High-Compression Crash Simulations and Tests of PLA Cubes Fabricated Using Additive Manufacturing FDM with a Scaling Strategy
by
Andres-Amador Garcia-Granada
Computation 2024, 12(3), 40; https://doi.org/10.3390/computation12030040 - 23 Feb 2024
Abstract
Impacts due to drops or crashes between moving vehicles necessitate the search for energy absorption elements to prevent damage to the transported goods or individuals. To ensure safety, a given level of acceptable deceleration is provided. The optimization of deformable parts to absorb
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Impacts due to drops or crashes between moving vehicles necessitate the search for energy absorption elements to prevent damage to the transported goods or individuals. To ensure safety, a given level of acceptable deceleration is provided. The optimization of deformable parts to absorb impact energy is typically conducted through explicit simulations, where kinetic energy is converted into plastic deformation energy. The introduction of additive manufacturing techniques enables this optimization to be conducted with more efficient shapes, previously unachievable with conventional manufacturing methods. This paper presents an initial approach to validating explicit simulations of impacts against solid cubes of varying sizes and fabrication directions. Such cubes were fabricated using PLA, the most used material, and a desktop printer. All simulations could be conducted using a single material law description, employing solid elements with a controlled time step suitable for industrial applications. With this approach, the simulations were capable of predicting deceleration levels across a broad range of impact configurations for solid cubes.
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(This article belongs to the Special Issue 10th Anniversary of Computation—Computational Engineering)
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