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Molecular dynamics simulation of thermal behavior of paraffin/Cu nanoparticle PCM in a non-connected rotating ribbed tube

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International Communications in Heat and Mass Transfer 2025年 165卷

作者： Liu, Yaoyang Basem, Ali Al-zahy, Younis Mohamed Atiah Singh, Narinderjit Singh Sawaran Al-Bahrani, Mohammed Abduvalieva, Dilsora Salahshour, Soheil Esmaeili, Sh. Jiangxi Cas pharmaceutical Engineering Technology Co. LTD Jiangxi Nanchang330000 China Chinese Academy of Sciences Hatch Innovation Investment Co. Ltd Beijing100000 China Faculty of Engineering Warith Al-Anbiyaa University Karbala56001 Iraq Department of Physics College of Education Misan University Maysan Iraq Faculty of Data Science and Information Technology INTI International University Persiaran Perdana BBN Putra Nilai Nilai71800 Malaysia Chemical Engineering and Petroleum Industries Department Al-Mustaqbal University Babylon51001 Iraq Department of Mathematics and Information Technologies Tashkent State Pedagogical University Bunyodkor avenue 27 Tashkent100070 Uzbekistan Faculty of Engineering and Natural Sciences Istanbul Okan University Istanbul Turkey Faculty of Engineering and Natural Sciences Bahcesehir University Istanbul Turkey Research Center of Applied Mathematics Khazar University Baku Azerbaijan Fast Computing Center Shabihsazan Ati Pars Tehran Iran

Applying molecular dynamics simulations, this study investigates the influence of different atomic ratios of Cu nanoparticles on the atomic and thermal behavior of a paraffin/Cu composite within a non-connected rotating ribbed tube. A simulation box measuring 50 × 150 × 50 Å3 is employed, with periodic boundary conditions in y and z-coordinates. LAMMPS simulation is running for a total of 20 ns. The simulation model is validated through an equilibration phase for 10 ns, achieving a temperature of 300 K and a total energy of 1.450 kcal/mol. The results indicate that the maximum density decreases to 0.0852 atom/Å3 as the atomic ratio of Cu nanoparticles increases from 1 to 7 %. Additionally, the velocity and temperature increased to 0.00493 Å/fs and 766 K. Furthermore, the thermal conductivity increased from 0.63 to 0.68 W/m·K, and the heat transfer increased from 5.25 to 5.36 W/m2. The charging and discharging times decrease to 6.24 and 7.11 ns. These trends are reversed at an atomic ratio of 10 %: the maximum density increased, the velocity and temperature decreased, the heat flux and thermal conductivity decreased to 5.33 W/m2 and 0.67 W/m·K, and the charging/discharging times increased to 6.26 ns and 7.18 ns, respectively. These results indicate that an optimal concentration of 7 % Cu nanoparticles improved thermal conductivity. The paper examined the influence of nanoparticle saturation on thermal stability, demonstrating that excessive agglomeration adversely impacts heat conduction. This study offered for the development of superior nanoparticle-enhanced phase change materials in confined systems with unconnected rotating ribs, to improve heat dissipation and stability. © 2025 Elsevier Ltd

关键词： Positive temperature coefficient

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Time-Dependent Variational Approach to Ground-State Phase Transition and Phonon Dispersion Relation of the Quantum Double-Well Model

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Chinese Physics Letters 2008年第8期25卷 2758-2761页

作者：钟红伟徐海清黄乒花 Department of Information and Computing Science Guangxi University of Technology Liuzhou 545006 Faculty of Applied Technology Hunan Institute of Engineering Xiangtan 411101 School of Physical Electronics University of Electronic Science and Technology of China Chengdu 610054

The ground-state phase transition and the phonon dispersion relation of the quantum double-well model are studied by means of the time-dependent variational approach combined with a Hartree-type many-body trial wavefunction. The single-particle state is taken to be a frozen Jackiw-Kerman wavefunction. Under the condition of minimum uncertainty relation, we obtain an effective classical Hamiltonian for the system and equations of motion for the particle＇s expectation values. It is shown that the effective substrate potential transits from a symmetric double-well potential to a symmetric single-well potential, and the ground state exhibits a transition from a broken symmetry phase to a restored symmetry phase as increasing the strength of quantum fluctuations. We also obtain the phonon dispersion relations and the phonon gaps at the two phases.

关键词： FIELD-THEORY POLYACETYLENE DYNAMICS SOLITONS APPROXIMATION FLUCTUATIONS PRESSURE CHAINS ICE

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Carbon-doped percentage effect on the mechanical properties of nanoporous silicon sample using molecular dynamics simulation

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Case Studies in Chemical and Environmental Engineering 2025年 11卷

作者： Sawaran Singh, Narinderjit Singh Ali, Ali B.M. Ameen, Hawzhen Fateh M. Al-Zahiwat, Murtadha M. Salahshour, Soheil Emami, Nafiseh Faculty of Data Science and Information Technology INTI International University Persiaran Perdana BBN Putra Nilai Nilai 71800 Malaysia Air Conditioning Engineering Department College of Engineering University of Warith Al-Anbiyaa Karbala Iraq Department of Petroleum Technology Erbil Technology College Erbil Polytechnic University Kurdistan Region Erbil Iraq Department of Petroleum Engineering Knowledge University Erbil Iraq Department of Chemical engineering College of Engineering University of Misan Amarah Iraq Faculty of Engineering and Natural Sciences Istanbul Okan University Istanbul Türkiye Faculty of Engineering and Natural Sciences Bahcesehir University Istanbul Türkiye Research Center of Applied Mathematics Khazar University Baku Türkiye Fast Computing Center Shabihsazan Ati Pars Tehran Iran

Porous materials have attracted considerable attention from researchers due to its many uses in molecular separation, heterogeneous catalysis, absorption technologies, and electronic improvements. These solid materials, often defined by their structural voids, are essential in several sectors. This research investigated the impact of carbon doping on the mechanical characteristics of nanoporous silicon matrices. The use of high-purity silicon doping is very beneficial in the semiconductor industry and is crucial for high-power devices and automotive applications. This study simulates a nanoporous silicon sample by molecular dynamics methods, adding carbon doping at different concentrations. The findings demonstrate that when the carbon doping concentration escalated from 1 % to 30 %, the mechanical resistance of the system decreased correspondingly. The ultimate tensile strength fell from 10.26 to 9.02 GPa. Furthermore, Young's modulus rose from 83.47 to 98.37 GPa. The decline in mechanical stability was associated with a drop in the model's total weight, which had considerable ramifications for industrial applications. Thus, incorporating C-doped nanoporous silicon into real applications not only lowered the weight of target materials but also improved their use. © 2025 The Author(s)

关键词： Carbon doping Mechanical properties Molecular dynamics simulation Nanoporous Porous materials

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A Dyad-Based Mobile System to Support Older Adults and Informal Caregivers 14

A Dyad-Based Mobile System to Support Older Adults and Infor...

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2024 IEEE 14th Annual computing and Communication Workshop and Conference, CCWC 2024

作者： El Salti, Tarek Sykes, Edward R. Scrivo, Jordan Plaza, Brandon Mun, Vladislav Faculty of Applied Science and Technology Sheridan College School of Applied Computing OakvilleON Canada OakvilleON Canada

ISBN: (纸本)9798350360134

Despite a gradual rise in health care expenditures due to population aging between the Year 2020 and 2060 in several countries, the overall increase will contribute to additional GDP share (e.g., 1.3 percentage points in the EU). To potentially reduce costs, ongoing developments of mobile Health (mHealth) applications is essential which provide digital health care using mobile devices. However, there is no dyadic mHealth architecture (i.e., between caregivers and their older adults) exclusively utilizing smartphones, aimed at supporting older adults' well-being through regular follow-ups for their caregivers. In response, we developed a novel dyad-based architecture, including mobile applications for caregivers to check on their older adults' physical activities (e.g., walking). Our system is not only considered mobile but also highly accessible due to the pervasiveness of smartphones. This work in progress also included pilot usability study analysis for the user interface and experience design. Among the findings, participants mentioned that the proposed system strongly supports them in their caregiving for their older adults. This study will serve as a precursor for future usability studies that will include wearables. © 2024 IEEE.

关键词： Smartphones

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DieT Transformer model with PCA-ADE integration for advanced multi-class brain tumor classification

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Intelligence-Based Medicine 2025年 11卷 100192-100192页

作者： Amin, Mohammad Nahar, Khalid M.O. Gharaibeh, Hasan Nasayreh, Ahmad Alsalmanc, Neda'a Alomar, Alaa Malkawi, Majd Alqasem, Noor Smerat, Aseel Zitar, Raed Abu Nusier, Shawd Ezugwu, Absalom E. Abualigah, Laith Department of Information Technology and Computer Sciences Yarmouk University Irbid 211633 Jordan Faculty of Computer Studies Arab Open University P.O.Box 84901 Riyadh 11681 Saudi Arabia Department of Computer Science Faculty of Information Technology Jordan University of Science and Technology Irbid 22110 Jordan Department of Medicine Faculty of Medicine Jordan University of Science and Technology Irbid 22110 Jordan Department of Biomedical Systems and Informatics Engineering Hijjawi Faculty for Engineering Technology Yarmouk University Irbid 21163 Jordan Centre for Research Impact & Outcome Chitkara University Institute of Engineering and Technology Chitkara University Punjab Rajpura 140401 India Department of Biosciences Saveetha School of Engineering Saveetha Institute of Medical and Technical Sciences Chennai 602105 India Artificial Intelligence and Sensing Technologies (AIST) Research Center University of Tabuk Tabuk 71491 Saudi Arabia Faculty of Engineering and Computing Liwa College Abu Dhabi United Arab Emirates Department of Health and Clinical Outcomes Research Saint Louis University St. Louis MO United States Unit for Data Science and Computing North-West University 11 Hofman Street Potchefstroom 2520 South Africa Computer Science Department Al al-Bayt University Mafraq 25113 Jordan Hourani Center for Applied Scientific Research Al-Ahliyya Amman University Amman 19328 Jordan

Early and accurate diagnosis of brain tumors is crucial to improving patient outcomes and optimizing treatment strategies. Long-term brain injury results from aberrant proliferation of either malignant or nonmalignant tissues in the brain. MRIs, or magnetic resonance imaging, are one of the most used approaches for detecting brain tumors. Professionals physically evaluate people after they have had MRI filtering, the process of enhancing MRI scans for radiologist interpretation, to establish if they have a brain tumor. Because different specialists use different frames to make judgments on the same MRI image, their analyses may yield contradictory results. Furthermore, simply detecting a tumor is insufficient. Inconsistent diagnoses can lead to delays in treatment, impacting survival rates and quality of care. It is also crucial to diagnose the patient's tumor so that treatment can begin as soon as possible. In this research, we investigate the multi-class classification of brain tumors utilizing a cutting-edge methodology that includes feature extraction from pictures using the DieT Transformer model, dimensionality reduction with PCA, and feature selection using the ADE algorithm. The proposed model, known in the publication as ADE_DieT, obtained an accuracy of 96.09 %. In addition, this article analyzes the performance of various pre-trained models, including MobileNetV3, NasNet, ResNet50, VGG16, VGG19, and DeiT. The proposed approach shortens the time required for manual diagnosis by clinicians by assisting in the rapid and accurate identification of brain tumors using MRI data. In oncology, this is important since it allows for early treatment. Integrating ADE_DieT into clinical workflows can support radiologists by reducing diagnosis time and enhancing diagnostic consistency. © 2024 The Authors

关键词： Brain tumor Medical image analysis MRI Vision Transformer

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On the System Performance of Mobile Edge computing in an Uplink NOMA WSN With a Multiantenna Access Point Over Nakagami-m Fading

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IEEE/CAA Journal of Automatica Sinica 2022年第4期9卷 668-685页

作者： Van-Truong Truong Van Nhan Vo Dac-Binh Ha Chakchai So-In the Faculty of Electrical-Electronic Engineering Duy Tan University the Institute of Research and Development Duy Tan University the Faculty of Information Technology Duy Tan University IEEE the Applied Network Technology(ANT)Laboratory Department of Computer ScienceCollege of ComputingKhon Kaen University

In this paper,we study the system performance of mobile edge computing(MEC)wireless sensor networks(WSNs)using a multiantenna access point(AP)and two sensor clusters based on uplink nonorthogonal multiple access(NOMA).Due to limited computation and energy resources,the cluster heads(CHs)offload their tasks to a multiantenna AP over Nakagami-m *** proposed a combination protocol for NOMA-MEC-WSNs in which the AP selects either selection combining(SC)or maximal ratio combining(MRC)and each cluster selects a CH to participate in the communication process by employing the sensor node(SN)*** derive the closed-form exact expressions of the successful computation probability(SCP)to evaluate the system performance with the latency and energy consumption constraints of the considered *** results are provided to gain insight into the system performance in terms of the SCP based on system parameters such as the number of AP antennas,number of SNs in each cluster,task length,working frequency,offloading ratio,and transmit power ***,to determine the optimal resource parameters,i.e.,the offloading ratio,power allocation of the two CHs,and MEC AP resources,we proposed two algorithms to achieve the best system *** approach reveals that the optimal parameters with different schemes significantly improve SCP compared to other similar *** use Monte Carlo simulations to confirm the validity of our analysis.

关键词： Mobile edge computing(MEC) Nakagami-m fading offloading selection combining(SC)/maximal ratio combining(MRC) successful computation probability(SCP) uplink nonortho-gonal multiple access(NOMA) wireless sensor networks(WSNs)

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New integrated chassis control systems for vehicle handling performance enhancement

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International Journal of Dynamics and Control 2013年第4期1卷 360-384页

作者： Elmarakbi, Ahmed Rengaraj, Chandrasekaran Wheately, Alan Elkady, Mustafa Department of Computing Engineering and Technology Faculty of Applied Sciences University of Sunderland SunderlandSR6 0DD United Kingdom

This paper investigates the principle of integration of vehicle dynamics control systems by proposing a new control architecture to integrate the following four major functional domains of a vehicle;braking, steering, suspension and driveline. The active control systems include brake-based electronic stability control, active front steering, normal suspension force control and variable torque distribution. Based on the analysis of these four standalone controllers, a novel rule based integration strategy is proposed to improve the vehicle handling. A nonlinear vehicle handling model is developed for this study in Matlab/Simulink. This model contains a sprung mass of six degrees of freedom that includes, longitudinal, lateral, yaw, roll, pitch and bounce and un-sprung masses with wheels at each corner of the vehicle. The simulation results show that this integration strategy enhances the vehicle handling stability in terms of reduction in vehicle yaw rate and side-slip angle that would not be attained in standalone manner. © 2013, Springer-Verlag Berlin Heidelberg.

关键词： Automobile steering equipment

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Synergistic interaction between a corrugated surface and hydrogen bonding affects selectivity in bond cleaving reaction: A case of coadsorbed hydrazine-OH on Ni(211) system

Results in Surfaces and Interfaces

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Results in Surfaces and Interfaces 2025年 19卷

作者： Hidayat, Novianto Nur Agusta, Mohammad Kemal Rustad, Supriadi Dipojono, Hermawan Kresno Nakanishi, Hiroshi Kasai, Hideaki Department of Applied Physics Osaka University 2-1 Yamadaoka Osaka Suita 565-0871 Japan Research Center for Quantum Computing and Material Informatics Faculty of Computer Science Universitas Dian Nuswantoro Main Campus 207 Imam Bonjol Street Semarang 50131 Indonesia Nano and Quantum Technology Research Group Faculty of Industrial Technology Institut Teknologi Bandung Jl. Ganesha 10 Bandung 40132 Indonesia Research Center for Nanoscience and Nanotechnology Institut Teknologi Bandung Jl. Ganesha 10 Bandung 40132 Indonesia National Institute of Technology Akashi College 679-3 Nishioka Uozumi Hyogo Akashi 674-8501 Japan

Investigating how a surface affects first N–H and N–N bond cleaving in hydrazine (N2H4) is a critical step towards designing a selective catalyst. In this study, the first N–H and N–N bond cleaving in hydrazine (N...

Investigating how a surface affects first N–H and N–N bond cleaving in hydrazine (N₂H₄) is a critical step towards designing a selective catalyst. In this study, the first N–H and N–N bond cleaving in hydrazine (N₂H₄) and hydroxyl (OH) coadsorption system on the Ni(211) surface is investigated using Density Functional Theory (DFT) based calculations. Effects of the vicinal steps and edges in Ni(211) on the H-bond formation and the selectivity of each bond-cleaving reaction are demonstrated. The product of N–H bond cleaving is shown to be less stable than N–N bond cleaving. Nevertheless, the activation energy of N–H bond cleaving is demonstrated to be significantly lower than that of N–N. In an ideal extended periodic system used in this study at specific coverage, the results demonstrate the effect of utilizing a corrugated surface in promoting first N–H bond cleaving instead of N–N. © 2025 The Authors

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Predicting the uplift capacity of circular anchors in frictional-cohesive soils using Kolmogorov-Arnold networks

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Scientific Reports 2025年第1期15卷 1-26页

作者： Vu-Hoang, Tran Nguyen, Tan Shiau, Jim Pham-Tran, Hung-Thinh Nguyen-Thoi, Trung Faculty of Civil Engineering Ton Duc Thang University Ho Chi Minh City Viet Nam Smart Computing in Civil Engineering Research Group Faculty of Civil Engineering Ton Duc Thang University Ho Chi Minh City Viet Nam School of Engineering University of Southern Queensland Toowoomba 4350 QLD Australia Laboratory for Applied and Industrial Mathematics Institute for Computational Science and Artificial Intelligence Van Lang University Ho Chi Minh City Viet Nam Faculty of Mechanical-Electrical and Computer Engineering School of Technology Van Lang University Ho Chi Minh City Viet Nam

This study investigates the uplift capacity of circular anchors embedded in frictional-cohesive soils under surcharge. The analysis focuses on three critical stability factors F_c, F_q, and F_γ using Terzaghi’s principle of superposition to evaluate ultimate bearing capacity. These factors are influenced by the soil’s internal friction angle, the geometric ratio of anchor depth to diameter, and the interface roughness between the anchor and soil. Three predictive models for these stability factors are developed using advanced computational methods, including finite element limit analysis (FELA) with adaptive meshing and Kolmogorov-Arnold Networks (KAN). This research is the first to apply KAN in anchor behavior studies, demonstrating its enhanced ability to model complex data relationships compared to artificial neural networks (ANN). Additionally, a closed-form solution for stability factors is derived through KAN, providing an efficient method for predicting bearing capacity. The optimized models exhibit high coefficient of determination (R²) values and low root mean square errors (RMSE) for training and testing datasets. Sensitivity analysis validates the robustness of the proposed models. These findings advance the understanding of circular anchors’ bearing capacity in frictional-cohesive soils, offering practical design insights for various soil conditions. © The Author(s) 2025.

关键词： Closed-form solution Frictional-cohesive soils Kolmogorov-Arnold networks (KAN) Sensitivity analysis Terzaghi stability factors Uplift capacity

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ICGNN: Graph Neural Network Enabled Scalable Beamforming for MISO Interference Channels

arXiv

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arXiv 2025年

作者： He, Changpeng Lu, Yang Ai, Bo Dobre, Octavia A. Ding, Zhiguo Niyato, Dusit School of Computer Science and Technology Beijing Jiaotong University Beijing100044 China School of Electronics and Information Engineering Beijing Jiaotong University Beijing100044 China Faculty of Engineering and Applied Science Memorial University St. John’sNLA1C 5S7 Canada Department of Electrical Engineering and Computer Science Khalifa University Abu Dhabi127788 United Arab Emirates College of Computing and Data Science Nanyang Technological University Singapore639798 Singapore

This paper investigates the graph neural network (GNN)-enabled beamforming design for interference channels. We propose a model termed interference channel GNN (ICGNN) to solve a quality-of-service constrained energy efficiency maximization problem. The ICGNN is two-stage, where the direction and power parts of beamforming vectors are learned separately but trained jointly via unsupervised learning. By formulating the dimensionality of features independent of the transceiver pairs, the ICGNN is scalable with the number of transceiver pairs. Besides, to improve the performance of the ICGNN, the hybrid maximum ratio transmission and zero-forcing scheme reduces the output ports, the feature enhancement module unifies the two types of links into one type, the subgraph representation enhances the message passing efficiency, and the multi-head attention and residual connection facilitate the feature extracting. Furthermore, we present the over-the-air distributed implementation of the ICGNN. Ablation studies validate the effectiveness of key components in the ICGNN. Numerical results also demonstrate the capability of ICGNN in achieving near-optimal performance with an average inference time less than 0.1 ms. The scalability of ICGNN for unseen problem sizes is evaluated and enhanced by transfer learning with limited fine-tuning cost. The results of the centralized and distributed implementations of ICGNN are illustrated. © 2025, CC BY.

关键词： Graph neural networks

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