Alexander V. Savin^1,2, Elena A. Korznikova^3,4, Sergey V. Dmitriev^5,*

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 >

Chen-Xi Hu¹, Wu-Gui Jiang^1,*, 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 >

Asgar Ali^1,*, 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 >

Yunjun Lee¹, Sanggyu Cheon², Woo Chul Chung^1,*

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 >

Q. Fei^1,*, 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 >

T. J. Li^a,*, Y. Yue^a, L. P. Qu^a, H. J. Hou^b, S. H. Fan^b, H. L. Guo^c, S. R. Zhang^d

Chalcogenide Letters, Vol.22, No.10, pp. 917-927, 2025, DOI:10.15251/CL.2025.2210.917

Abstract The material AgAlSe₂, which adopts a chalcopyrite crystal structure, has attracted significant attention owing to its promising functional properties. To further explore its characteristics, theoretical method was conducted to explore its elastic behavior, electronic structure, dynamic stability, and thermodynamic features. The lattice parameters and elastic constants obtained through simulation agrees well with the reported data. Additionally, the mechanical stability of AgAlSe₂ was assessed through its elastic constants, confirming its structural integrity. Electronic property analysis reveals that AgAlSe₂ exhibits semiconducting behavior, featuring a direct band gap of approximately 1.1377 eV. More >

Amina Mahreen¹, Fateh Mebarek-Oudina^2,3,4,*, Amna Ashfaq¹, Jawad Raza¹, Sami Ullah Khan⁵, Hanumesh Vaidya⁶

FDMP-Fluid Dynamics & Materials Processing, Vol.21, No.11, pp. 2829-2853, 2025, DOI:10.32604/fdmp.2025.072492 - 01 December 2025

Abstract Understanding the complex interaction between heat and mass transfer in non-Newtonian microflows is essential for the development and optimization of efficient microfluidic and thermal management systems. This study investigates the magnetohydrodynamic (MHD) thermosolutal convection of a Casson fluid within an inclined, porous microchannel subjected to convective boundary conditions. The nonlinear, coupled equations governing momentum, energy, and species transport are solved numerically using the MATLAB bvp4c solver, ensuring high numerical accuracy and stability. To identify the dominant parameters influencing flow behavior and to optimize transport performance, a comprehensive hybrid optimization framework—combining a modified Taguchi design, Grey… More >

Yuxin Wang¹, Youjiang Wang², Jieping Wang², Chao Zhang^1,*, Fanguang Meng³, Linhua Zhang¹, Yongxing Song^1,*

FDMP-Fluid Dynamics & Materials Processing, Vol.21, No.11, pp. 2761-2777, 2025, DOI:10.32604/fdmp.2025.072236 - 01 December 2025

Abstract High-pressure water jet technology has emerged as a highly effective method for removing industrial-scale deposits from pipelines, offering a clean, efficient, and environmentally sustainable alternative to conventional mechanical or chemical cleaning techniques. Among the many parameters influencing its performance, the geometry of the nozzle plays a decisive role in governing jet coherence, impact pressure distribution, and overall cleaning efficiency. In this study, a comprehensive numerical and experimental investigation is conducted to elucidate the influence of nozzle geometry on the behavior of high-pressure water jets. Using Computational Fluid Dynamics (CFD) simulations based on the Volume of… More >

Kashif Ahmed Soomro^1,2,3,*, Rahool Rai^1,3,4, S. R. Qureshi², Sudhakar Kumarasamy^4,5,6, Abdul Hameed Memon¹, Rabiya Jamil¹

Energy Engineering, Vol.122, No.12, pp. 4857-4872, 2025, DOI:10.32604/ee.2025.069847 - 27 November 2025

Abstract Plate heat exchangers suffer from significant energy losses, which adversely affect the overall efficiency of thermal systems. To address this challenge, various heat transfer enhancement techniques have been investigated. Notably, the incorporation of surface corrugations is widely recognized as both effective and practical. Chevron corrugation is the most employed design. However, there remains a need to investigate alternative geometries that may offer superior performance. This study aims to find a novel corrugation design by conducting a comparative CFD analysis of flat, square, chevron, and cylindrical corrugated surfaces, assessing their impact on heat transfer enhancement within… More > Graphic Abstract

David Amilo^1,*, Khadijeh Sadri¹, Evren Hincal^1,2, Mohamed Hafez^3,4

CMES-Computer Modeling in Engineering & Sciences, Vol.145, No.2, pp. 2189-2222, 2025, DOI:10.32604/cmes.2025.070298 - 26 November 2025

Abstract Breast cancer’s heterogeneous progression demands innovative tools for accurate prediction. We present a hybrid framework that integrates machine learning (ML) and fractional-order dynamics to predict tumor growth across diagnostic and temporal scales. On the Wisconsin Diagnostic Breast Cancer dataset, seven ML algorithms were evaluated, with deep neural networks (DNNs) achieving the highest accuracy (97.72%). Key morphological features (area, radius, texture, and concavity) were identified as top malignancy predictors, aligning with clinical intuition. Beyond static classification, we developed a fractional-order dynamical model using Caputo derivatives to capture memory-driven tumor progression. The model revealed clinically interpretable patterns: More >