Journal of Computational Science最新文献_第10页

Automatic learning analysis of flow-induced birefringence in cellulose nanofibrils 纤维素纳米原纤维流动诱导双折射的自动学习分析

IF 3.1 3区计算机科学

Journal of Computational Science Pub Date : 2025-02-01 DOI: 10.1016/j.jocs.2025.102536

Federica Bragone , Kateryna Morozovska , Tomas Rosén , Tor Laneryd , Daniel Söderberg , Stefano Markidis

{"title":"Automatic learning analysis of flow-induced birefringence in cellulose nanofibrils","authors":"Federica Bragone , Kateryna Morozovska , Tomas Rosén , Tor Laneryd , Daniel Söderberg , Stefano Markidis","doi":"10.1016/j.jocs.2025.102536","DOIUrl":"10.1016/j.jocs.2025.102536","url":null,"abstract":"<div><div>Cellulose Nanofibrils (CNFs), highly present in nature, can be used as building blocks for future sustainable materials, including strong and stiff filaments. A rheo-optical flow-stop technique is used to conduct experiments to characterize the CNFs by studying Brownian dynamics through the CNFs’ birefringence decay after stop. As the experiments produce large quantities of data, we reduce their dimensionality using Principal Component Analysis (PCA) and exploit the possibility of visualizing the reduced data in two ways. First, we plot the principal components (PCs) as time series, and by training LSTM networks assigned for each PC time series with the data before the flow stop, we predict the behavior after the flow stop (Bragone et al., 2024). Second, we plot the first PCs against each other to create clusters that give information about the different CNF materials and concentrations. Our approach aims at classifying the CNF materials to varying concentrations by applying unsupervised machine learning algorithms, such as <em>k</em>-means and Gaussian Mixture Models (GMMs). Finally, we analyze the Autocorrelation Function (ACF) and the Partial Autocorrelation Function (PACF) of the first principal component, detecting seasonality in lower concentrations.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"85 ","pages":"Article 102536"},"PeriodicalIF":3.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143349416","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A multiple sclerosis two-compartmental differential equation computational model 3D simulation using OpenCL 基于OpenCL的多发性硬化症双室微分方程计算模型三维仿真

IF 3.1 3区计算机科学

Journal of Computational Science Pub Date : 2025-02-01 DOI: 10.1016/j.jocs.2024.102516

Matheus Ávila Moreira de Paula , Gustavo G. Silva , Gabriela Machado Gazola , Barbara M. Quintela , Marcelo Lobosco

引用次数: 0

Edge-Wise Graph-Instructed Neural Networks 边缘图指示神经网络

IF 3.1 3区计算机科学

Journal of Computational Science Pub Date : 2025-02-01 DOI: 10.1016/j.jocs.2024.102518

Francesco Della Santa , Antonio Mastropietro , Sandra Pieraccini , Francesco Vaccarino

引用次数: 0

Multi-objective optimization in the design of load sharing systems with mixed redundancy strategies under random shocks 随机冲击下混合冗余负荷分担系统多目标优化设计

IF 3.1 3区计算机科学

Journal of Computational Science Pub Date : 2025-02-01 DOI: 10.1016/j.jocs.2024.102495

Mohammad Yaghtin, Youness Javid, Mostafa Abouei Ardakan

引用次数: 0

Unraveling dynamics of bursting, transient, and tipping behavior in toxic plankton–fish system with fear and zooplankton refuge 在有恐惧和浮游动物庇护的有毒浮游生物-鱼类系统中，揭示爆发、瞬态和引爆行为的动力学

IF 3.1 3区计算机科学

Journal of Computational Science Pub Date : 2025-02-01 DOI: 10.1016/j.jocs.2025.102527

Navneet Rana , Rakesh Kumar , Abhijit Sarkar , Bapin Mondal

{"title":"Unraveling dynamics of bursting, transient, and tipping behavior in toxic plankton–fish system with fear and zooplankton refuge","authors":"Navneet Rana , Rakesh Kumar , Abhijit Sarkar , Bapin Mondal","doi":"10.1016/j.jocs.2025.102527","DOIUrl":"10.1016/j.jocs.2025.102527","url":null,"abstract":"<div><div>The increasing flow of environmental poisonous substances into aquatic systems elevates considerable concerns about their impact on natural aquatic environments. Among aquatic organisms, phytoplankton and zooplankton emerge as particularly vulnerable to these toxins. Additionally, the toxin-producing phytoplankton plays a pivotal role in regulating natural aquatic ecosystems. Our aim is to delve into the intricate interplay between phytoplankton, zooplankton, and fish populations involving the impact of toxins, predations fear, and refuge-seeking behavior of zooplankton. The dynamics of toxin release by phytoplankton exhibit a complexity characterized by various transitions, including saddle–node, transcritical, and Hopf bifurcations. Furthermore, a low refuge rate and a low minimum cost of fear result in bursting pattern behaviors and increase the frequency of these patterns. However, as these factors increase, the bursting patterns can no longer be sustained, leading the system to transition to a stable state. Additionally, the transient response is evident in the system under conditions of high refuge and high saturation levels of predation. The system swiftly transitions from unstable oscillations to stable dynamics within a very short transient time frame. Conversely, under conditions of very low refuge and low saturation levels of predation, tipping behavior is observed in the system, demonstrating sensitivity to initial populations. The presence of environmental toxins significantly impacts the species under discussion. All numerical simulations strongly validate the analytical findings. Furthermore, each result is accompanied by a biological interpretation, which is discussed in the conclusion section.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"85 ","pages":"Article 102527"},"PeriodicalIF":3.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143177202","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Forward and turning flight simulation of flying cars and comparative evaluation of flight dynamics models considering wind disturbances 飞行汽车前转飞行仿真及考虑风扰动的飞行动力学模型比较评价

IF 3.1 3区计算机科学

Journal of Computational Science Pub Date : 2025-02-01 DOI: 10.1016/j.jocs.2024.102519

Taiga Magata , Ayato Takii , Masashi Yamakawa , Yusei Kobayashi , Shinichi Asao , Seiichi Takeuchi , Yongmann M. Chung

{"title":"Forward and turning flight simulation of flying cars and comparative evaluation of flight dynamics models considering wind disturbances","authors":"Taiga Magata , Ayato Takii , Masashi Yamakawa , Yusei Kobayashi , Shinichi Asao , Seiichi Takeuchi , Yongmann M. Chung","doi":"10.1016/j.jocs.2024.102519","DOIUrl":"10.1016/j.jocs.2024.102519","url":null,"abstract":"<div><div>The implementation of flying cars as Urban Air Mobility (UAM) requires ensuring safety, and high-precision simulation technology is essential as an efficient development method.　As most flying cars in the development stage are small, multi-rotor types that derive thrust from multiple propellers, the effect of wind is considered to be significant during actual flight. In previous studies, attempts were made to elucidate the effects of wind on small Urban Air Mobility (UAM) vehicles in the development stage by introducing wind disturbances, with headwinds during forward flight and crosswinds during turning flight [1]. In this study, four additional high-speed disturbance patterns were added and a total of 22 patterns of acceleration and constant speed turning flight were numerically simulated to elucidate the dynamic effects of wind disturbance on the aircraft in the high-speed range. In addition, as there is a trade-off between calculation time and calculation accuracy in CFD, more accurate and efficient control design can be carried out before fluid analysis to speed up the development of flying cars. Therefore, a flight dynamics model was designed that incorporates the three-dimensional Newton-Euler equation and PID control, taking into account drag forces and the torque exerted by the drag forces. This study aims to elucidate the aerodynamic interference effects on the aircraft caused by high-speed disturbances, which have not been thoroughly investigated in previous research. Additionally, it evaluates the validity of two flight dynamics models and highlights the importance of considering fluid dynamics.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"85 ","pages":"Article 102519"},"PeriodicalIF":3.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143177203","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A phenomenological discrete model for cardiac tissue mechanics 心脏组织力学的现象学离散模型

IF 3.1 3区计算机科学

Journal of Computational Science Pub Date : 2025-02-01 DOI: 10.1016/j.jocs.2024.102496

Ricardo Silva Campos , Joventino Oliveira Campos , Bernardo Martins Rocha , Helio José Corrêa Barbosa , Rodrigo Weber dos Santos

{"title":"A phenomenological discrete model for cardiac tissue mechanics","authors":"Ricardo Silva Campos , Joventino Oliveira Campos , Bernardo Martins Rocha , Helio José Corrêa Barbosa , Rodrigo Weber dos Santos","doi":"10.1016/j.jocs.2024.102496","DOIUrl":"10.1016/j.jocs.2024.102496","url":null,"abstract":"<div><div>This study introduces a simulator for replicating cardiac contraction using a mass–spring system, chosen for its simplicity and computational efficiency. Our phenomenological model’s validity was established by comparing it with finite element method (FEM) based simulators, employing a cardiac mechanics benchmark comprising three distinct experiments. Comparative metrics such as shear, strain, and volume preservation were employed. During the systolic phase, discrepancies between the mass–spring and FEM models ranged from 1 to 5% (depending on the metric). Good agreement was also observed across a complete cardiac cycle. The most notable disparity between the models occurred during the experiment simulating significant heart inflation, ranging from 3 to 13% based on the comparison metric. Furthermore, the mass–spring model exhibited an execution time over seven times faster than the FEM-based model. In conclusion, our work presents a novel phenomenological model for cardiac contraction employing a computationally efficient spring-mass system. This characteristic is particularly pertinent for generating patient-specific models and digital twins.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"85 ","pages":"Article 102496"},"PeriodicalIF":3.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143177208","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Lattice Boltzmann simulation of pollutant transport in shallow water flows: Application to Nador lagoon 浅水流中污染物运移的晶格玻尔兹曼模拟：在纳多尔泻湖的应用

IF 3.1 3区计算机科学

Journal of Computational Science Pub Date : 2025-02-01 DOI: 10.1016/j.jocs.2025.102538

Ali Haddach , Hassan Smaoui , Bouchaib Radi

{"title":"Lattice Boltzmann simulation of pollutant transport in shallow water flows: Application to Nador lagoon","authors":"Ali Haddach , Hassan Smaoui , Bouchaib Radi","doi":"10.1016/j.jocs.2025.102538","DOIUrl":"10.1016/j.jocs.2025.102538","url":null,"abstract":"<div><div>This paper present a novel numerical method based on lattice Boltzmann and designed for simulating pollutant transport in Nador lagoon (Moroccan eastern coast of Mediterranean Sea). The model solves the shallow water equations coupled to the depth-averaged advection-diffusion equation. Solution of the Shallow water equations was performed by the multiple relaxation time lattice Boltzmann method, while the depth-averaged advection-diffusion equation was solved by the single relaxation time lattice Boltzmann method. To keep its role of mixing processes, the diffusion coefficients were determined by a linear relationship from the turbulent viscosity via the Schmit number. This relationship allowed the link of the relaxation time of hydrodynamics and the relaxation time of diffusion processes.</div><div>The results of the numerical hydrodynamic model were validated by comparison with laboratory measurements treating flow in two-branches channels. The analysis of this comparison showed that our numerical model reproduces this flow with high precision. Furthermore, the numerical solution of advection-diffusion equation was validated by comparison with both stationary and unsteady analytical solutions. The error analysis also showed that the proposed numerical model simulates the propagation of a contaminant with good accuracy.</div><div>After the validation phase, the numerical model was applied to simulate the propagation of pollutant for the real case of the Nador lagoon. For this case, the sources of pollution were identified at the positions of the different waterways bordering the southern shore of the lagoon. Two hydrodynamic scenarios were simulated: flow without wind and flow with wind. In the absence of measurement data on the area, the qualitative analysis of the simulation results showed consistency both with the literature on the study area and with the dynamics of the Eulerian circulation of the lagoon.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"85 ","pages":"Article 102538"},"PeriodicalIF":3.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143376485","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A soft sensor open-source methodology for inexpensive monitoring of water quality: A case study of NO3− concentrations 用于廉价监测水质的软传感器开源方法：NO3−浓度的案例研究

IF 3.1 3区计算机科学

Journal of Computational Science Pub Date : 2025-02-01 DOI: 10.1016/j.jocs.2024.102522

Antonio Jesús Chaves, Cristian Martín, Luis Llopis Torres, Manuel Díaz, Jaime Fernández-Ortega, Juan Antonio Barberá, Bartolomé Andreo

{"title":"A soft sensor open-source methodology for inexpensive monitoring of water quality: A case study of NO3− concentrations","authors":"Antonio Jesús Chaves, Cristian Martín, Luis Llopis Torres, Manuel Díaz, Jaime Fernández-Ortega, Juan Antonio Barberá, Bartolomé Andreo","doi":"10.1016/j.jocs.2024.102522","DOIUrl":"10.1016/j.jocs.2024.102522","url":null,"abstract":"<div><div>Nitrate (NO<sub>3</sub><sup>−</sup>) concentrations in aquifers constitute a global problem affecting environmental integrity and public health. Unfortunately, deploying hardware sensors specifically for NO<sub>3</sub><sup>−</sup> measurements can be expensive, thereby, limiting scalability. This research explores the integration of soft sensors with data streams through an use case to predict nitrate NO<sub>3</sub><sup>−</sup> levels in real time. To achieve this objective, a methodology based on Kafka-ML is proposed, a framework designed to manage the pipeline of machine learning models using data streams. The study evaluates the effectiveness of this methodology by applying it to a real-world scenario, including the integration of low-cost sensor devices. Additionally, Kafka-ML is extended by integrating MQTT and other IoT data protocols. The methodology benefits include rapid development, enhanced control, and visualisation of soft sensors. By seamlessly integrating IoT and data analytics, the approach promotes the adoption of cost-effective solutions for managing NO<sub>3</sub><sup>−</sup> pollution and improving sustainable water resource monitoring.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"85 ","pages":"Article 102522"},"PeriodicalIF":3.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143176115","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Bayesian approaches for revealing complex neural network dynamics in Parkinson’s disease 揭示帕金森病复杂神经网络动力学的贝叶斯方法

IF 3.1 3区计算机科学

Journal of Computational Science Pub Date : 2025-02-01 DOI: 10.1016/j.jocs.2025.102525

Hina Shaheen , Roderick Melnik

{"title":"Bayesian approaches for revealing complex neural network dynamics in Parkinson’s disease","authors":"Hina Shaheen , Roderick Melnik","doi":"10.1016/j.jocs.2025.102525","DOIUrl":"10.1016/j.jocs.2025.102525","url":null,"abstract":"<div><div>Parkinson’s disease (PD) belongs to the class of neurodegenerative disorders that affect the central nervous system. It is usually defined as the gradual loss of dopaminergic neurons in the substantia nigra pars compacta, which causes both motor and non-motor symptoms. Understanding the neuronal processes that underlie PD is critical for creating successful therapies. This study combines machine learning (ML), stochastic modelling, and Bayesian inference with connectomic data to analyse the brain networks involved in PD. We use modern computational methods to study large-scale neural networks to identify neuronal activity patterns related to PD development. We aim to define the subtle structural and functional connection changes in PD brains by combining connectomic with stochastic noises. Stochastic modelling approaches reflect brain dynamics’ intrinsic variability and unpredictability, shedding light on the origin and spread of pathogenic events in PD. We employ a novel hybrid model to assess how stochastic noise impacts the cortex-basal ganglia-thalamus (CBGTH) network, using data from the Human Connectome Project (HCP). Bayesian inference allows us to quantify uncertainty in model parameters, improving the accuracy of our predictions. Our findings reveal that stochastic disturbances increase thalamus activity, even under deep brain stimulation (DBS). Bayesian analysis suggests that reducing these disturbances could enhance healthy brain states, providing insights for potential therapeutic interventions. This approach offers a deeper understanding of PD dynamics and paves the way for personalized treatment strategies. This is an extended version of our work presented at the ICCS-2024 conference (Shaheen and Melnik, 2024)<span><span>[1]</span></span>.</div></div>","PeriodicalId":48907,"journal":{"name":"Journal of Computational Science","volume":"85 ","pages":"Article 102525"},"PeriodicalIF":3.1,"publicationDate":"2025-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143176116","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"计算机科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0