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  • Open Access

    ARTICLE

    Structural and Helix Reversal Defects of Carbon Nanosprings: A Molecular Dynamics Study

    Alexander V. Savin1,2, Elena A. Korznikova3,4, Sergey V. Dmitriev5,*

    CMC-Computers, Materials & Continua, Vol.86, No.2, pp. 1-20, 2026, DOI:10.32604/cmc.2025.072786 - 09 December 2025

    Abstract Due to their chiral structure, carbon nanosprings possess unique properties that are promising for nanotechnology applications. The structural transformations of carbon nanosprings in the form of spiral macromolecules derived from planar coronene and kekulene molecules (graphene helicoids and spiral nanoribbons) are analyzed using molecular dynamics simulations. The interatomic interactions are described by a force field including valence bonds, bond angles, torsional and dihedral angles, as well as van der Waals interactions. While the tension/compression of such nanosprings has been analyzed in the literature, this study investigates other modes of deformation, including bending and twisting. Depending… More >

  • Open Access

    ARTICLE

    Mechanisms of Pore-Grain Boundary Interactions Influencing Nanoindentation Behavior in Pure Nickel: A Molecular Dynamics Study

    Chen-Xi Hu1, Wu-Gui Jiang1,*, Jin Wang1, Tian-Yu He2

    CMC-Computers, Materials & Continua, Vol.86, No.1, pp. 1-21, 2026, DOI:10.32604/cmc.2025.068655 - 10 November 2025

    Abstract THE mechanical response and deformation mechanisms of pure nickel under nanoindentation were systematically investigated using molecular dynamics (MD) simulations, with a particular focus on the novel interplay between crystallographic orientation, grain boundary (GB) proximity, and pore characteristics (size/location). This study compares single-crystal nickel models along [100], [110], and [111] orientations with equiaxed polycrystalline models containing 0, 1, and 2.5 nm pores in surface and subsurface configurations. Our results reveal that crystallographic anisotropy manifests as a 24.4% higher elastic modulus and 22.2% greater hardness in [111]-oriented single crystals compared to [100]. Pore-GB synergistic effects are found More >

  • Open Access

    ARTICLE

    Vortex-Induced Vibration Prediction in Floating Structures via Unstructured CFD and Attention-Based Convolutional Modeling

    Yan Li1,2,*, Yibin Wu1,2, Bo Zhang1,2

    FDMP-Fluid Dynamics & Materials Processing, Vol.21, No.12, pp. 2905-2925, 2025, DOI:10.32604/fdmp.2025.072979 - 31 December 2025

    Abstract Traditional Computational Fluid Dynamics (CFD) simulations are computationally expensive when applied to complex fluid–structure interaction problems and often struggle to capture the essential flow features governing vortex-induced vibrations (VIV) of floating structures. To overcome these limitations, this study develops a hybrid framework that integrates high-fidelity CFD modeling with deep learning techniques to enhance the accuracy and efficiency of VIV response prediction. First, an unstructured finite-volume fluid–structure coupling model is established to generate high-resolution flow field data and extract multi-component time-series feature tensors. These tensors serve as inputs to a Squeeze-and-Excitation Convolutional Neural Network (SE-CNN), which… More >

  • Open Access

    ARTICLE

    Effect of Fin Spacing on Frost Growth and Airflow Dynamics in ASHP Evaporators

    Zhengqing Zhang1,2,3,*, Xiaojun Yuan2, Hui Wu2

    FDMP-Fluid Dynamics & Materials Processing, Vol.21, No.12, pp. 2927-2943, 2025, DOI:10.32604/fdmp.2025.071115 - 31 December 2025

    Abstract Frost accumulation on the evaporator fins of air source heat pumps (ASHPs) severely degrades heat transfer performance and overall system efficiency. To address this, the present study employs computational fluid dynamics (CFD) to investigate how fin spacing influences frosting behavior, emphasizing the coupled evolution of frost thickness, density, airflow, and temperature distribution within fin channels. Results reveal that fin spacing is a key parameter governing both the extent and rate of frost growth. Wider fin spacing enhances frost accumulation, with a final frost mass of 6.41 g at 12 mm, about 71.8% higher than at More >

  • Open Access

    ARTICLE

    A Novel Multi-Step Numerical Framework for Ice Accretion Prediction Based on Unsteady Water Film Dynamics

    Ke Shen1,2,*, Dan Zeng1,2, Changhao Wang1, Lei Wang1, Yuliang Dong1

    Frontiers in Heat and Mass Transfer, Vol.23, No.6, pp. 1957-1980, 2025, DOI:10.32604/fhmt.2025.070396 - 31 December 2025

    Abstract Ice accretion on aircraft poses a critical threat to flight safety by significantly altering aerodynamic performance. This study presents a novel numerical framework for ice accretion prediction, developed by extending the Myers model and incorporating an advanced multi-step approach. The proposed framework integrates ice layer growth into the modeling of unsteady water film dynamics and introduces a revised criterion for determining the icing condition. A multi-step scheme, accounting for the continuous variation of physical parameters, is implemented to enhance computational accuracy. The framework is validated through simulations on both 2D and 3D configurations. For the… More > Graphic Abstract

    A Novel Multi-Step Numerical Framework for Ice Accretion Prediction Based on Unsteady Water Film Dynamics

  • Open Access

    ARTICLE

    Methods of Selecting Adaptive Artificial Viscosity in Completely Conservative Difference Schemes for Gas Dynamics Equations in Euler Variables

    Marina Ladonkina1, Viktoriia Podryga1,*, Yury Poveshchenko1, Haochen Zhang2

    Frontiers in Heat and Mass Transfer, Vol.23, No.6, pp. 1789-1809, 2025, DOI:10.32604/fhmt.2025.066953 - 31 December 2025

    Abstract The work presents new methods for selecting adaptive artificial viscosity (AAV) in iterative algorithms of completely conservative difference schemes (CCDS) used to solve gas dynamics equations in Euler variables. These methods allow to effectively suppress oscillations, including in velocity profiles, as well as computational instabilities in modeling gas-dynamic processes described by hyperbolic equations. The methods can be applied both in explicit and implicit (method of separate sweeps) iterative processes in numerical modeling of gas dynamics in the presence of heat and mass transfer, as well as in solving problems of magnetohydrodynamics and computational astrophysics. In… More >

  • Open Access

    ARTICLE

    Tailoring Tribological Behavior of PMMA Using Multi-Component Nanofillers: Insights into Friction, Wear, and Third-Body Flow Dynamics

    Du-Yi Wang1, Shih-Chen Shi1,*, Dieter Rahmadiawan1,2

    Journal of Polymer Materials, Vol.42, No.4, pp. 1075-1095, 2025, DOI:10.32604/jpm.2025.072263 - 26 December 2025

    Abstract Polymethyl methacrylate (PMMA) is widely used in diverse applications such as protective components (e.g., automotive lamp covers and structural casings), optical devices, and biomedical products, owing to its lightweight nature and impact resistance. However, its surface hardness and wear resistance remain insufficient under prolonged exposure to abrasive environments. In this study, a multi-filler strategy with nano-silica (SiO2), brominated lignin (Br-Lignin), and cellulose nanocrystals (CNCs) was employed to enhance PMMA tribological properties. SiO2 provided localized reinforcement, Br-Lignin established stable network structures, and CNCs improved compactness, enabling strong synergistic effects. As a result, the composites achieved up to More >

  • Open Access

    ARTICLE

    Neuro-Fuzzy Computational Dynamics of Reactive Hybrid Nanofluid Flow Inside a Squarely Elevated Riga Tunnel with Ramped Thermo-Solutal Conditions under Strong Electromagnetic Rotation

    Asgar Ali1,*, Nayan Sardar2, Poly Karmakar3, Sanatan Das4

    CMES-Computer Modeling in Engineering & Sciences, Vol.145, No.3, pp. 3563-3626, 2025, DOI:10.32604/cmes.2025.074082 - 23 December 2025

    Abstract Hybrid nanofluids have gained significant attention for their superior thermal and rheological characteristics, offering immense potential in energy conversion, biomedical transport, and electromagnetic flow control systems. Understanding their dynamic behavior under coupled magnetic, rotational, and reactive effects is crucial for the development of efficient thermal management technologies. This study develops a neuro-fuzzy computational framework to examine the dynamics of a reactive Cu–TiO2–H2O hybrid nanofluid flowing through a squarely elevated Riga tunnel. The governing model incorporates Hall and ion-slip effects, thermal radiation, and first-order chemical reactions under ramped thermo-solutal boundary conditions and rotational electromagnetic forces. Closed-form analytical… More >

  • Open Access

    ARTICLE

    Structural and Vibration Characteristics of Rotating Packed Beds System for Carbon Capture Applications Using Finite Element Method

    Yunjun Lee1, Sanggyu Cheon2, Woo Chul Chung1,*

    CMES-Computer Modeling in Engineering & Sciences, Vol.145, No.3, pp. 3381-3403, 2025, DOI:10.32604/cmes.2025.073729 - 23 December 2025

    Abstract The application of carbon capture systems on ships is technically constrained by limited onboard space and the weight of the conventional absorption tower. The rotating packed bed (RPB) has emerged as a promising alternative due to its small footprint and high mass transfer performance. However, despite its advantages, the structural and vibration stability of RPBs at high rotational speed remains insufficiently studied, and no international design standards currently exist for RPBs. To address this gap, this study performed a comprehensive finite element analysis (FEA) using ANSYS to investigate the structural and dynamic characteristics of an… More >

  • Open Access

    ARTICLE

    Design and synthesis of diketopyrrolopyrrole-CdS hybrid nanostructures for enhanced photovoltaic applications

    Q. Fei1,*, B. Jin2, B. C. Jiang3, J. S. Huang4, L. Li5

    Chalcogenide Letters, Vol.22, No.8, pp. 693-705, 2025, DOI:10.15251/CL.2025.228.693

    Abstract An innovative hybrid nanostructure composed of diketopyrrolopyrrole (DPP) oligomers and cadmium sulfide (CdS) nanoparticles was developed to enhance the efficiency of organic– inorganic photovoltaic devices. The DPP-CdS hybrids were synthesized via a solution-phase mixing method, resulting in uniform nanoparticle dispersion along polymer fibrils and strong interfacial coupling. Structural characterization confirmed the coexistence of crystalline CdS domains and partially ordered DPP phases, while spectroscopic analyses indicated notable redshifts and band broadening, evidencing electronic interactions at the interface. The hybrid material displayed significantly broadened light absorption across the 400–700 nm range and an optimized optical bandgap of… More >

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