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
Structure-Based Discovery of Potential HPV E6 and EBNA1 Inhibitors: Implications for Cervical Cancer Treatment
Computation 2024, 12(6), 112; https://doi.org/10.3390/computation12060112 (registering DOI) - 31 May 2024
Abstract
Cervical cancer is the fourth most diagnosed cancer and the fourth leading cause of cancer death in women globally. Its onset and progression have been attributed to high-risk human papillomavirus (HPV) types, especially 16 and 18, while the Epstein–Barr virus (EBV) is believed
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Cervical cancer is the fourth most diagnosed cancer and the fourth leading cause of cancer death in women globally. Its onset and progression have been attributed to high-risk human papillomavirus (HPV) types, especially 16 and 18, while the Epstein–Barr virus (EBV) is believed to also significantly contribute to cervical cancer growth. The E6 protein associated with high-risk HPV strains, such as HPV16 and HPV18, is known for its role in promoting cervical cancer and other anogenital cancers. E6 proteins contribute to the malignant transformation of infected cells by targeting and degrading tumor suppressor proteins, especially p53. On the other hand, EBV nuclear antigen 1 (EBNA1) plays a crucial role in the maintenance and replication of the EBV genome in infected cells. EBNA1 is believed to increase HPV E6 and E7 levels, as well as c-MYC, and BIRC5 cellular genes in the HeLa cell line, implying that HPV/EBV co-infection accelerates cervical cancer onset and growth. Thus, the E6 and EBNA1 antigens of HPV and EBV, respectively, are attractive targets for cervical cancer immunotherapy. This study, therefore, virtually screened for potential drug candidates with good binding affinity to all three oncoviral proteins, HPV16 E6, HPV18 E6, and EBNA1. The compounds were further subjected to ADMET profiling, biological activity predictions, molecular dynamics (MD) simulations, and molecular mechanics Poisson–Boltzmann surface area (MM/PBSA) calculations. A total of six compounds comprising ZINC000013380012, ZINC000070454124, ZINC000014588133, ZINC000085568136, ZINC000095909247, and ZINC000085597263 demonstrated very strong affinity (≤−60 kJ/mol) to the three oncoviral proteins (EBNA1, HPV16 E6, and HPV18 E6) after being subjected to docking, MD, and MM/PBSA. These compounds demonstrated relatively stronger binding than the controls used, inhibitors of EBNA1 (VK-1727) and HPV E6 (baicalein and gossypetin). Biological activity predictions also corroborated their antineoplastic, p53-enhancing, Pin1 inhibitory, and JAK2 inhibitory activities. Further experimental testing is required to validate the ability of the shortlisted compounds to silence the insidious effects of HPV E6 and EBNA1 proteins in cervical cancers.
Full article
(This article belongs to the Special Issue 10th Anniversary of Computation—Computational Biology)
Open AccessArticle
The Effect of Critical Distance in Digital Levelling
by
Jana Izvoltova, Jakub Chromcak and Dasa Bacova
Computation 2024, 12(6), 111; https://doi.org/10.3390/computation12060111 - 31 May 2024
Abstract
Critical distance concerns precise digital levelling, which has inaccurate results at a certain sighting distance. The influence of critical distance on a measured height difference has been confirmed by calibrating certain digital levels and their appropriate code devices on a vertical comparator under
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Critical distance concerns precise digital levelling, which has inaccurate results at a certain sighting distance. The influence of critical distance on a measured height difference has been confirmed by calibrating certain digital levels and their appropriate code devices on a vertical comparator under laboratory conditions. The paper aims to explore the influence of critical distance on height differences obtained by precise digital levels of Leica NA3003 and DNA03 by experimental measurements realised in situ. The processing of the measurement results consisted of defining a random error on a station by using parameter estimation of an error model to specify a partial error on a station dependent on sighting distance. Then the processing phase continues with the finding of the relation between the sighting distance and the dispersion of height differences acquired by digital levelling under terrain conditions. The theoretical part involves the development of levelling accuracy theories that vary over time by view on random and systematic error propagation. The numerical and graphical solution of the experimental measurements involves ordering the height differences into sighting groups according to the sighting distance. The standard deviation computed in each sighting group represents a measure of the dispersion of height differences. Suppose the standard deviation in the sighting group in both independent experimental locations K1 and K2 exceeds twice the total standard deviation. In that case, it is most likely considered to be the influence of the critical distance, which is then compared with values obtained by laboratory calibration of the same digital levels.
Full article
(This article belongs to the Special Issue Causal Inference, Probability Theory and Graphical Concepts)
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Open AccessArticle
Computational Analysis of Hemodynamic Indices in Multivessel Coronary Artery Disease in the Presence of Myocardial Perfusion Dysfunction
by
Timur Gamilov, Alexander Danilov, Peter Chomakhidze, Philipp Kopylov and Sergey Simakov
Computation 2024, 12(6), 110; https://doi.org/10.3390/computation12060110 - 30 May 2024
Abstract
Coronary artery disease (CAD) is one of the main causes of death in the world. Functional indices such as fractional flow reserve (FFR), coronary flow reserve (CFR) and instantaneous wave-free ratio (iFR) are used to estimate the severity of CAD. Approximately 30–50% of
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Coronary artery disease (CAD) is one of the main causes of death in the world. Functional indices such as fractional flow reserve (FFR), coronary flow reserve (CFR) and instantaneous wave-free ratio (iFR) are used to estimate the severity of CAD. Approximately 30–50% of patients have residual myocardial ischaemia even after formally successful percutaneous coronary intervention (PCI). Myocardial perfusion impairment is one of the main factors responsible for recurrence. We propose a novel 1D model of coronary hemodynamics that takes into account myocardial contraction, stenoses and impaired microcirculation. It uses non-invasively acquired data. The model is able to simulate FFR and iFR with a mean relative error of 3% and a standard mean deviation of 0.04. We find that healthy FFR and iFR values in the short and long term do not always correspond to healthy CFR values and recovery of coronary blood flow. We also show that PCI of stenosis also improves hemodynamic indices in adjacent stenosed vessels, with a more pronounced effect in the long term.
Full article
(This article belongs to the Special Issue Recent Advances in Numerical Simulation of Compressible Flows)
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Open AccessEditorial
Computational Medical Image Analysis: A Preface
by
Anando Sen
Computation 2024, 12(6), 109; https://doi.org/10.3390/computation12060109 - 24 May 2024
Abstract
There has been immense progress in medical image analysis over the past decade [...]
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(This article belongs to the Special Issue Computational Medical Image Analysis)
Open AccessArticle
Absorption by a Layered Microbolometer Pixel’s Active Element
by
Christos Bolakis and Christos N. Vazouras
Computation 2024, 12(5), 108; https://doi.org/10.3390/computation12050108 - 20 May 2024
Abstract
Microbolometer arrays, i.e., arrays of micro-scale pixels sensing temperature via resistance changes, have proven to be an effective basis for real-time imaging instrumentation in infrared as well as terahertz frequencies. In previous work, a design of THz and IR absorbing nano-laminates of dielectric
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Microbolometer arrays, i.e., arrays of micro-scale pixels sensing temperature via resistance changes, have proven to be an effective basis for real-time imaging instrumentation in infrared as well as terahertz frequencies. In previous work, a design of THz and IR absorbing nano-laminates of dielectric and metal layers was studied. It was shown via numerical modeling that absorption may be maximized by appropriate choices of thickness, permittivity and conductivity. In this work, an analytical approach to the problem is formulated based on the standard recursive multiple reflection formulas for multi-layered planar structures. The results fully confirm and extend previous numerical work. A previous relationship between wavelength and silicon thickness for maximum absorption, derived numerically for specific parameter combinations, is now generalized in a parametric closed form. The method can be extended to include multiple lossy dielectric layers and may serve as a tool for optimizing the absorption characteristics of more complex layered absorbing structures. This could enhance the sensitivity of the detection scheme of interest, providing benefits in terms of cost, efficiency, precision, and adjustability.
Full article
(This article belongs to the Special Issue Experiments/Process/System Modeling/Simulation/Optimization (IC-EPSMSO 2023))
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Open AccessArticle
Modeling Density Waves and Circulations in Vertical Cross-Section in Adhesive Contacts
by
Aleksander E. Filippov, Iakov A. Lyashenko and Valentin L. Popov
Computation 2024, 12(5), 107; https://doi.org/10.3390/computation12050107 - 20 May 2024
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This work continues the study of the process of friction between a steel spherical indenter and a soft elastic elastomer previously published in our paper. It is done in the context of our previous experimental results obtained on systems with strongly pronounced adhesive
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This work continues the study of the process of friction between a steel spherical indenter and a soft elastic elastomer previously published in our paper. It is done in the context of our previous experimental results obtained on systems with strongly pronounced adhesive interaction between the surfaces of contacting bodies during the process of friction between a steel spherical indenter and a soft elastic elastomer. In the present paper, we concentrate on the theoretical study of the processes developing in a vertical cross-section of the system. For continuity, here the case of indenter motion at a low speed at different indentation depths is considered as before. The analysis of the evolution of normal and tangential contact forces, mean normal pressure, tangential stresses, as well as the size of the contact area is performed. Despite its relative simplicity, a numerical two-dimensional (2D = 1 + 1) model, which is used here, satisfactorily reproduces experimentally observed effects. Furthermore, it allows direct visualization of the motion in the vertical cross-section of the system, which is currently invisible experimentally. Partially, it recalls two-dimensional (2D = 1 + 1) models recently proposed to describe the “turbulent” shear flow of solids under torsion and in cellular materials. The observations extracted from the model help us to understand better the adhesive processes that underlie the experimental results.
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Open AccessArticle
Accelerating Conjugate Heat Transfer Simulations in Squared Heated Cavities through Graphics Processing Unit (GPU) Computing
by
César Augusto Borges da Silva Reis, Daniel Botezelli, Arthur Mendonça de Azevedo, Elisan dos Santos Magalhães and Aristeu da Silveira Neto
Computation 2024, 12(5), 106; https://doi.org/10.3390/computation12050106 - 19 May 2024
Abstract
This research develops an innovative framework for accelerating Conjugate Heat Transfer (CHT) simulations within squared heated cavities through the application of Graphics Processing Units (GPUs). Although leveraging GPUs for computational speed improvements is well recognized, this study distinguishes itself by formulating a tailored
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This research develops an innovative framework for accelerating Conjugate Heat Transfer (CHT) simulations within squared heated cavities through the application of Graphics Processing Units (GPUs). Although leveraging GPUs for computational speed improvements is well recognized, this study distinguishes itself by formulating a tailored optimization strategy utilizing the CUDA-C programming language. This approach is specifically designed to tackle the inherent challenges of modeling squared cavity configurations in thermal simulations. Comparative performance evaluations reveal that our GPU-accelerated framework reduces computation times by up to 99.7% relative to traditional mono-core CPU processing. More importantly, it demonstrates an increase in accuracy in heat transfer predictions compared to existing CPU-based models. These results highlight not only the technical feasibility but also the substantial enhancements in simulation efficiency and accuracy, which are crucial for critical engineering applications such as aerospace component design, electronic device cooling, and energy system optimization. By advancing GPU computational techniques, this work contributes significantly to the field of thermal management, offering a potential for broader application and paving the way for more efficient, sustainable engineering solutions.
Full article
(This article belongs to the Special Issue 10th Anniversary of Computation—Computational Heat and Mass Transfer (ICCHMT 2023))
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Open AccessArticle
Short Fiber-Reinforced Polymer Polyamide 6 Lugs and Selective Laser-Melted Ti-6Al-4V Bushing Contact Cohesive Zone Model Mode II Parameters’ Evaluation
by
Andry Sedelnikov, Evgenii Kurkin, Vitaliy Smelov, Vladislava Chertykovtseva, Vyacheslav Alekseev, Andrey Gavrilov, Evgenii Kishov, Maksim Zvyagincev and Sergey Chernyakin
Computation 2024, 12(5), 105; https://doi.org/10.3390/computation12050105 - 17 May 2024
Abstract
This paper discusses an approach to estimating the parameters of the cohesive zone model (CZM) by mode II by extruding the bushing along the lug axis. This method of evaluation requires small samples, which is particularly relevant when investigating short fiber-reinforced polymers (SFRPs)
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This paper discusses an approach to estimating the parameters of the cohesive zone model (CZM) by mode II by extruding the bushing along the lug axis. This method of evaluation requires small samples, which is particularly relevant when investigating short fiber-reinforced polymers (SFRPs) with additively manufactured embedded elements. Adhesion is investigated on the example of 30% carbon fiber-reinforced polyamide-6 molded to Ti-6Al-4V (VT6) selective laser-melted (SLM) alloy bushing in cases of a roughness Ra = 2.66 μm (vibratory finishing), Ra = 8.79 μm (sandblasting), and Ra = 10.02 (directly from SLM). The values of the maximum equivalent tangential contact stress were in a range from 1.1 MPa to 9.5 MPa, while the critical fracture energy for tangential slip was estimated at 15 N/mm for all cases. Experimental validation of the obtained CZM mode II was carried out by evaluating the load-carrying capacity of the lugs with different bushings. In both the experiment and the calculation, greater bushing roughness provides greater lug load-bearing capacity. The ribbed bushings added significant strength in the experiments, which confirmed the importance of considering the tangential mode in the contact model. The presented models can be used for the preliminary evaluation of short fiber-reinforced polyamide-6 parts with titanium-embedded elements bearing capacity.
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(This article belongs to the Section Computational Engineering)
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Open AccessArticle
Relation Models of Surface Parameters and Backscattering (or Radiation) Fields as a Tool for Solving Remote Sensing Problems
by
Kseniia Nezhalska, Valerii Volosyuk, Kostiantyn Bilousov, Denys Kolesnikov and Glib Cherepnin
Computation 2024, 12(5), 104; https://doi.org/10.3390/computation12050104 - 16 May 2024
Abstract
In this paper, an analysis of existing models for describing surfaces of various types is performed, and the possibilities of their application at the level of mathematical modeling are analyzed. Moreover, due to the large number of models and the complexity of selecting
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In this paper, an analysis of existing models for describing surfaces of various types is performed, and the possibilities of their application at the level of mathematical modeling are analyzed. Moreover, due to the large number of models and the complexity of selecting the appropriate model, e.g., when conducting a practical experiment, an algorithm for choosing a specific model depending on the initial data is proposed. According to the algorithm, a software prototype that implements this algorithm (written in Python) is proposed.
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(This article belongs to the Special Issue Integrated Computer Technologies in Mechanical Engineering—Synergetic Engineering III)
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Open AccessArticle
On the Features of Numerical Simulation of Hydrogen Self-Ignition under High-Pressure Release
by
Alexey Kiverin, Andrey Yarkov and Ivan Yakovenko
Computation 2024, 12(5), 103; https://doi.org/10.3390/computation12050103 - 16 May 2024
Abstract
The paper is devoted to the comparative analysis of different CFD techniques used to solve the problem of high-pressure hydrogen release into the air. Three variations of a contemporary low-dissipation numerical technique (CABARET) are compared with each other and a conventional first-order numerical
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The paper is devoted to the comparative analysis of different CFD techniques used to solve the problem of high-pressure hydrogen release into the air. Three variations of a contemporary low-dissipation numerical technique (CABARET) are compared with each other and a conventional first-order numerical scheme. It is shown that low dissipation of the numerical scheme defines better resolution of the contact surface between released hydrogen and ambient air. As a result, the spatial structures of the jet and the reaction wave that arise during self-ignition are better resolved, which is useful for predicting the local effects of high-pressure hydrogen release. At the same time, the dissipation has little effect on the induction delay, so critical conditions of self-ignition can be reliably reproduced even via conventional numerical schemes. The test problem setups formulated in the paper can be used as benchmarks for compressible CFD solvers.
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(This article belongs to the Special Issue Recent Advances in Numerical Simulation of Compressible Flows)
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Open AccessArticle
Design and Development of an Electronic Controller for Accurate Temperature Management for Storage of Biological and Chemical Samples in Healthcare
by
Svetozar Ilchev
Computation 2024, 12(5), 102; https://doi.org/10.3390/computation12050102 - 16 May 2024
Abstract
This paper presents the design and development of an electronic controller for accurate temperature management for the storage of biological and chemical samples in healthcare applications. In the introduction, some important application aspects related to the use of temperature control devices in healthcare
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This paper presents the design and development of an electronic controller for accurate temperature management for the storage of biological and chemical samples in healthcare applications. In the introduction, some important application aspects related to the use of temperature control devices in healthcare are discussed. Keeping these aspects in mind, a brief overview of some related works is presented. The findings are then translated to specific requirements for an electronic controller, which is to be used in a temperature control device. These requirements made necessary the development of a custom controller, as no readily available solutions could be obtained. The paper proceeds with the design of a suitable architecture and discusses some of the design choices. Then, some implementation details are presented and the prototype controller, together with its user interface, is illustrated. Experiments are conducted and several points for improvement are identified. Overall, the main task of keeping accurate, traceable temperature at all times is accomplished successfully, and the electronic controller proves to be a viable solution that conforms to the identified requirements. Future versions will improve the speed of the temperature adaptation and include better user interface and wireless connectivity for remote monitoring and control.
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(This article belongs to the Special Issue Applications of Statistics and Machine Learning in Electronics)
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Open AccessArticle
Unveiling AI-Generated Financial Text: A Computational Approach Using Natural Language Processing and Generative Artificial Intelligence
by
Muhammad Asad Arshed, Ștefan Cristian Gherghina, Christine Dewi, Asma Iqbal and Shahzad Mumtaz
Computation 2024, 12(5), 101; https://doi.org/10.3390/computation12050101 - 15 May 2024
Abstract
This study is an in-depth exploration of the nascent field of Natural Language Processing (NLP) and generative Artificial Intelligence (AI), and it concentrates on the vital task of distinguishing between human-generated text and content that has been produced by AI models. Particularly, this
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This study is an in-depth exploration of the nascent field of Natural Language Processing (NLP) and generative Artificial Intelligence (AI), and it concentrates on the vital task of distinguishing between human-generated text and content that has been produced by AI models. Particularly, this research pioneers the identification of financial text derived from AI models such as ChatGPT and paraphrasing tools like QuillBot. While our primary focus is on financial content, we have also pinpointed texts generated by paragraph rewriting tools and utilized ChatGPT for various contexts this multiclass identification was missing in previous studies. In this paper, we use a comprehensive feature extraction methodology that combines TF–IDF with Word2Vec, along with individual feature extraction methods. Importantly, combining a Random Forest model with Word2Vec results in impressive outcomes. Moreover, this study investigates the significance of the window size parameters in the Word2Vec approach, revealing that a window size of one produces outstanding scores across various metrics, including accuracy, precision, recall and the F1 measure, all reaching a notable value of 0.74. In addition to this, our developed model performs well in classification, attaining AUC values of 0.94 for the ‘GPT’ class; 0.77 for the ‘Quil’ class; and 0.89 for the ‘Real’ class. We also achieved an accuracy of 0.72, precision of 0.71, recall of 0.72, and F1 of 0.71 for our extended prepared dataset. This study contributes significantly to the evolving landscape of AI text identification, providing valuable insights and promising directions for future research.
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(This article belongs to the Special Issue Computational Approaches in Corporate Finance, Risk Management and Financial Markets)
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Open AccessArticle
Quasi-Interpolation on Chebyshev Grids with Boundary Corrections
by
Faisal Alsharif
Computation 2024, 12(5), 100; https://doi.org/10.3390/computation12050100 - 13 May 2024
Abstract
Quasi-interpolation is a powerful tool for approximating functions using radial basis functions (RBFs) such as Gaussian kernels. This avoids solving large systems of equations as in RBF interpolation. However, quasi-interpolation with Gaussian kernels on compact intervals can have significant errors near the boundaries.
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Quasi-interpolation is a powerful tool for approximating functions using radial basis functions (RBFs) such as Gaussian kernels. This avoids solving large systems of equations as in RBF interpolation. However, quasi-interpolation with Gaussian kernels on compact intervals can have significant errors near the boundaries. This paper proposes a quasi-interpolation method with Gaussian kernels using Chebyshev points and boundary corrections to improve the approximation near the boundaries. The boundary corrections use a linear approximation of the function beyond the interval to estimate the truncation error and add correction terms. Numerical studies on test functions show that the proposed method reduces errors significantly near boundaries compared to quasi-interpolation without corrections, for both equally spaced and Chebyshev points. The convergence and accuracy with the boundary corrections are generally better with Chebyshev points compared to equally spaced points. The proposed method provides an efficient way to perform quasi-interpolation on compact intervals while controlling the boundary errors. This study introduces a novel approach to quasi-interpolation modification, which significantly enhances convergence rates and minimizes errors at boundary points, thereby advancing the methods for boundary approximation.
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(This article belongs to the Topic Mathematical Modeling)
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Open AccessArticle
Intraplatelet Calcium Signaling Regulates Thrombus Growth under Flow: Insights from a Multiscale Model
by
Anass Bouchnita and Vitaly Volpert
Computation 2024, 12(5), 99; https://doi.org/10.3390/computation12050099 - 12 May 2024
Abstract
In injured arteries, platelets adhere to the subendothelium and initiate the coagulation process. They recruit other platelets and form a plug that stops blood leakage. The formation of the platelet plug depends on platelet activation, a process that is regulated by intracellular calcium
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In injured arteries, platelets adhere to the subendothelium and initiate the coagulation process. They recruit other platelets and form a plug that stops blood leakage. The formation of the platelet plug depends on platelet activation, a process that is regulated by intracellular calcium signaling. Using an improved version of a previous multiscale model, we study the effects of changes in calcium signaling on thrombus growth. This model utilizes the immersed boundary method to capture the interplay between platelets and the flow. Each platelet can attach to other platelets, become activated, express proteins on its surface, detach, and/or become non-adhesive. Platelet activation is captured through a specific calcium signaling model that is solved at the intracellular level, which considers calcium activation by agonists and contacts. Simulations reveal a contact-dependent activation threshold necessary for the formation of the thrombus core. Next, we evaluate the effect of knocking out the P2Y and PAR receptor families. Further, we show that blocking P2Y receptors reduces platelet numbers in the shell while slightly increasing the core size. An analysis of the contribution of P2Y and PAR activation to intraplatelet calcium signaling reveals that each of the ADP and thrombin agonists promotes the activation of platelets in different regions of the thrombus. Finally, the model predicts that the heterogeneity in platelet size reduces the overall number of platelets recruited by the thrombus. The presented framework can be readily used to study the effect of antiplatelet therapy under different physiological and pathological blood flow, platelet count, and activation conditions.
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(This article belongs to the Special Issue 10th Anniversary of Computation—Computational Biology)
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Open AccessArticle
An Optimization Model for Flight Rescheduling from an Airport’s Centralized Perspective for Better Management of Demand and Capacity Utilization
by
Abbas Seifi, Kumaraswamy Ponnambalam, Anna Kudiakova and Lisa Aultman-Hall
Computation 2024, 12(5), 98; https://doi.org/10.3390/computation12050098 - 11 May 2024
Abstract
Over-capacity flight scheduling by commercial airlines due to the surging demand in recent years creates congestion and significant delays at major airports. This attitude towards maximizing throughput calls for tactical flight rescheduling to comply with airports’ capacity limitations and distribute the peak hour
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Over-capacity flight scheduling by commercial airlines due to the surging demand in recent years creates congestion and significant delays at major airports. This attitude towards maximizing throughput calls for tactical flight rescheduling to comply with airports’ capacity limitations and distribute the peak hour demand over the course of a day. Such displacements of flights may cause significant problems and costs for airlines and some cancellations or missed connections for passengers. This paper presents an optimization model for flight rescheduling at a schedule-coordinated airport to minimize congestion and flight delays at peak hours. The optimization model is used to make better scheduling intervention decisions considering airport resource constraints and safety of operation. A simulation algorithm is also developed to replicate arrival and departure processes in such an airport. The simulation adheres to a first come first served (FCFS) discipline and enforces runway capacity constraints and minimum turnaround times. We compare the delays caused by an ad hoc FCFS operation with those of the optimization model. Computational results from a case study demonstrate that a reduction of 52.6% and 61% in total delay times for arrival and departure flights, respectively, can be achieved. The optimization model also facilitates the implementation of a collaborative decision-making system for better coordination of airport traffic flow management with commercial airlines.
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(This article belongs to the Section Computational Engineering)
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Open AccessReview
Review of Modeling Approaches for Conjugate Heat Transfer Processes in Oil-Immersed Transformers
by
Ivan Smolyanov, Evgeniy Shmakov, Denis Butusov and Alexandra I. Khalyasmaa
Computation 2024, 12(5), 97; https://doi.org/10.3390/computation12050097 - 11 May 2024
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This review addresses the modeling approaches for heat transfer processes in oil-immersed transformer. Electromagnetic, thermal, and hydrodynamic thermal fields are identified as the most critical aspects in describing the state of the transformer. The paper compares the implementation complexity, calculation time, and details
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This review addresses the modeling approaches for heat transfer processes in oil-immersed transformer. Electromagnetic, thermal, and hydrodynamic thermal fields are identified as the most critical aspects in describing the state of the transformer. The paper compares the implementation complexity, calculation time, and details of the results for different approaches to creating a mathematical model, such as circuit-based models and finite element and finite volume methods. Examples of successful model implementation are provided, along with the features of oil-immersed transformer modeling. In addition, the review considers the strengths and limitations of the considered models in relation to creating a digital twin of a transformer. The review concludes that it is not feasible to create a universal model that accounts for all the features of physical processes in an oil-immersed transformer, operates in real time for a digital twin, and provides the required accuracy at the same time. The conducted research shows that joint modeling of electromagnetic and thermal processes, reducing the dimensionality of models, provides the most comprehensive solution to the problem.
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Open AccessArticle
Optimizing Hadoop Scheduling in Single-Board-Computer-Based Heterogeneous Clusters
by
Basit Qureshi
Computation 2024, 12(5), 96; https://doi.org/10.3390/computation12050096 - 9 May 2024
Abstract
Single-board computers (SBCs) are emerging as an efficient and economical solution for fog and edge computing, providing localized big data processing with lower energy consumption. Newer and faster SBCs deliver improved performance while still maintaining a compact form factor and cost-effectiveness. In recent
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Single-board computers (SBCs) are emerging as an efficient and economical solution for fog and edge computing, providing localized big data processing with lower energy consumption. Newer and faster SBCs deliver improved performance while still maintaining a compact form factor and cost-effectiveness. In recent times, researchers have addressed scheduling issues in Hadoop-based SBC clusters. Despite their potential, traditional Hadoop configurations struggle to optimize performance in heterogeneous SBC clusters due to disparities in computing resources. Consequently, we propose modifications to the scheduling mechanism to address these challenges. In this paper, we leverage the use of node labels introduced in Hadoop 3+ and define a Frugality Index that categorizes and labels SBC nodes based on their physical capabilities, such as CPU, memory, disk space, etc. Next, an adaptive configuration policy modifies the native fair scheduling policy by dynamically adjusting resource allocation in response to workload and cluster conditions. Furthermore, the proposed frugal configuration policy considers prioritizing the reduced tasks based on the Frugality Index to maximize parallelism. To evaluate our proposal, we construct a 13-node SBC cluster and conduct empirical evaluation using the Hadoop CPU and IO intensive microbenchmarks. The results demonstrate significant performance improvements compared to native Hadoop FIFO and capacity schedulers, with execution times 56% and 22% faster than the best_cap and best_fifo scenarios. Our findings underscore the effectiveness of our approach in managing the heterogeneous nature of SBC clusters and optimizing performance across various hardware configurations.
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(This article belongs to the Section Computational Engineering)
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Open AccessArticle
Analysis and Control of Partially Observed Discrete-Event Systems via Positively Constructed Formulas
by
Artem Davydov, Aleksandr Larionov and Nadezhda Nagul
Computation 2024, 12(5), 95; https://doi.org/10.3390/computation12050095 - 9 May 2024
Abstract
This paper establishes a connection between control theory for partially observed discrete-event systems (DESs) and automated theorem proving (ATP) in the calculus of positively constructed formulas (PCFs). The language of PCFs is a complete first-order language providing a powerful tool for qualitative analysis
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This paper establishes a connection between control theory for partially observed discrete-event systems (DESs) and automated theorem proving (ATP) in the calculus of positively constructed formulas (PCFs). The language of PCFs is a complete first-order language providing a powerful tool for qualitative analysis of dynamical systems. Based on ATP in the PCF calculus, a new technique is suggested for checking observability as a property of formal languages, which is necessary for the existence of supervisory control of DESs. In the case of violation of observability, words causing a conflict can also be extracted with the help of a specially designed PCF. With an example of the problem of path planning by a robot in an unknown environment, we show the application of our approach at one of the levels of a robot control system. The prover Bootfrost developed to facilitate PCF refutation is also presented. The tests show positive results and perspectives for the presented approach.
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(This article belongs to the Special Issue Advanced Information, Computation, and Control Systems for Distributed Environments II)
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Open AccessArticle
To Bind or Not to Bind? A Comprehensive Characterization of TIR1 and Auxins Using Consensus In Silico Approaches
by
Fernando D. Prieto-Martínez, Jennifer Mendoza-Cañas and Karina Martínez-Mayorga
Computation 2024, 12(5), 94; https://doi.org/10.3390/computation12050094 - 9 May 2024
Abstract
Auxins are chemical compounds of wide interest, mostly due to their role in plant metabolism and development. Synthetic auxins have been used as herbicides for more than 75 years and low toxicity in humans is one of their most advantageous features. Extensive studies
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Auxins are chemical compounds of wide interest, mostly due to their role in plant metabolism and development. Synthetic auxins have been used as herbicides for more than 75 years and low toxicity in humans is one of their most advantageous features. Extensive studies of natural and synthetic auxins have been made in an effort to understand their role in plant growth. However, molecular details of the binding and recognition process are still an open question. Herein, we present a comprehensive in silico pipeline for the assessment of TIR1 ligands using several structure-based methods. Our results suggest that subtle dynamics within the binding pocket arise from water–ligand interactions. We also show that this trait distinguishes effective binders. Finally, we construct a database of putative ligands and decoy compounds, which can aid further studies focusing on synthetic auxin design. To the best of our knowledge, this study is the first of its kind focusing on TIR1.
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(This article belongs to the Special Issue 10th Anniversary of Computation—Computational Chemistry)
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Elasto-Plastic Analysis of Two-Way Reinforced Concrete Slabs Strengthened with Carbon Fiber Reinforced Polymer Laminates
by
Zahraa Saleem Sharhan and Majid Movahedi Rad
Computation 2024, 12(5), 93; https://doi.org/10.3390/computation12050093 - 8 May 2024
Abstract
This study explores a technique for enhancing the punching strength of reinforced concrete (RC) flat slabs, namely carbon fiber reinforced polymer (CFRP). Four large-scale RC flat slabs were fabricated, to assess the efficacy of this strengthening method. One slab served as a reference
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This study explores a technique for enhancing the punching strength of reinforced concrete (RC) flat slabs, namely carbon fiber reinforced polymer (CFRP). Four large-scale RC flat slabs were fabricated, to assess the efficacy of this strengthening method. One slab served as a reference and the three other specimens were strengthened with CFRP, as a method of external strengthening. These slabs, featuring identical overall dimensions and flexural steel reinforcement, underwent testing until failure, under the influence of concentrated patch loads. A concrete plastic damage constitutive model (CDP) was developed and employed to examine the strength of two-way RC slabs. Additionally, to enhance the strength of existing RC slabs, carbon fiber reinforced polymer (CFRP) strips are affixed to the tension surface of the sections. The research begins with the calibration of a numerical model, based on data from laboratory tests. The objective of this study is to constrain the plastic behavior of two-way RC slabs reinforced with CFRP, with a focus on establishing an optimal elasto-plastic analysis, aimed at controlling concrete damage plasticity using CFRP, and employing a plastic limit load multiplier. Subsequently, a series of numerical simulations, incorporating different variables, are conducted to investigate shear behavior. The numerical results indicate that an increase in the strengthening ratio has a significant impact on shear strength. Finite element simulations are carried out using Abaqus CAE®/2018.
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(This article belongs to the Section Computational Engineering)
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