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 >

Ke Shen^1,2,*, Dan Zeng^1,2, 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

Marina Ladonkina¹, Viktoriia Podryga^1,*, 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 >

Du-Yi Wang¹, Shih-Chen Shi^1,*, Dieter Rahmadiawan^1,2

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 >

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 >