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  • Open Access

    ARTICLE

    Spontaneous 2D Film Formation of Alkanes on Isoelectronic Substrates: BN Nanosheet vs. Graphene. Quantum Chemical Semi-Empirical Approach

    Elena S. Kartashynska*

    CMC-Computers, Materials & Continua, Vol.89, No.1, 2026, DOI:10.32604/cmc.2026.082702 - 13 August 2026

    Abstract The discovery of graphene and its unique physicochemical properties has catalyzed intensive research into alternative two-dimensional (2D) materials, with a view to their prospective applications in diverse fields of physics, chemistry, and materials science. In this context, there is a notable scientific interest in developing computationally efficient theoretical approaches capable of reliably estimating key parameters of organic films deposited on 2D surfaces. This objective necessitates a rigorous selection and validation of appropriate computational methods, ensuring an optimal balance between computational cost and predictive accuracy. This study presents a method for evaluating the thermodynamic and structural… More >

  • Open Access

    ARTICLE

    Internal Microstructure and Properties of a Reduced Graphene Oxide/Carbon Fiber/Carbon Based Composite Materials

    Mingwei Ren1,2, Xiangchi Hou3, Xinyang Peng3, Yujing Zhou1, Kewei Gao2, Yunbo Chen1,*, Hong Qiu3, Hua Bai3, Xiaolan Hu3,*

    Journal of Polymer Materials, Vol.43, No.2, 2026, DOI:10.32604/jpm.2026.080324 - 30 June 2026

    Abstract During the preparation of carbon fiber reinforced carbon matrix (C/C) composites from resin based precursors, the glassy carbon derived from resin pyrolysis is difficult to graphitize into an ordered structure during carbonization and graphitization, which adversely affects the performance of C/C composites. To enhance the transformation of resin-derived carbon into an ordered structure, we employed a structurally ordered graphene-based material to modify a phenolic resin/carbon fiber precursor and designed two composite modification structures that are straightforward to implement in processing. The internal microstructure of the composites was characterized by XRD and SEM. The results indicate More >

  • Open Access

    ARTICLE

    Effects of Graphene Defects on Evolution of Dislocations and Pores in Graphene/Al Composites: A Molecular Dynamics Study

    Junzhe Zhao1,2, Wencan Zhu1,3, Qiang Wang1, Hui Chen2, Yan Liu2, Kaihong Zheng3, Zhibo Zhang2,3,*

    CMC-Computers, Materials & Continua, Vol.88, No.2, 2026, DOI:10.32604/cmc.2026.078880 - 15 June 2026

    Abstract Vacancy defects in graphene are inevitably introduced during the fabrication of graphene-reinforced metal matrix composites through mechanical processing, chemical reactions, or in-service environmental exposure. Despite their prevalence, the precise atomic-scale impact of these vacancies on dislocation motion, strengthening mechanisms, and failure behavior remains incompletely understood. To address this gap, we employ molecular dynamics simulations to construct aluminum-graphene interface models featuring systematically varied vacancy defect concentrations, enabling a detailed investigation of dislocation–interface interactions and the underlying reinforcement and failure mechanisms under shear deformation. Compared to pristine graphene, interfaces containing vacancy defects exhibit significantly enhanced out-of-plane buckling… More >

  • Open Access

    ARTICLE

    Growth, Nutrient Accumulation, and Root Architecture Responses of Cucumber Plants to Different Graphene Oxide Concentrations

    Zejin Zhang1,2,#, Zhengnan Yan3,#, Xiangyu Ding3, Weiming Ren3, Yarong Zhang3, Haoxu Shen3, Jinxiu Song4, Na Lu5, Ying Liang1,2, Li Tang1,2,*

    Phyton-International Journal of Experimental Botany, Vol.95, No.5, 2026, DOI:10.32604/phyton.2026.083745 - 27 May 2026

    Abstract Graphene oxide (GO) has shown great potential in agricultural applications, however, its concentration-dependent effects on cucumber (Cucumis sativus L.) growth, nutrient absorption, and root architecture remain unclear. In the present study, a hydroponic experiment was conducted with different GO concentrations (0.5, 1.0, and 2.0 mg L−1) and setting the non-GO treatment (0.0 mg L−1) as the control for cucumber plants (cv. Qingbaizao). The results showed that low to moderate concentrations (0.5–1.0 mg L−1) significantly promoted cucumber growth, increased shoot and root biomass, enhanced the accumulation of nitrogen, phosphorus, and potassium, and optimized root architecture by increasing cellulose and… More >

  • Open Access

    ARTICLE

    Self-Assembled MoS2/Graphene Oxide Hybrid Structures for High-Capacity Supercapacitors: A Scalable Approach

    Mohsin Sayeed1,*, O. P. Singh1, Vishal Singh Chandel2, Azam Raza3, Kamal Batcha Mohamed Ismail4, Mayur Khan5, Navshad Alam6,7, Mohammad Shariq8

    Chalcogenide Letters, Vol.23, No.4, 2026, DOI:10.32604/cl.2026.079721 - 09 May 2026

    Abstract An eco-friendly one-pot hydrothermal method was developed to synthesize molybdenum disulfide/graphene oxide (MoS2/GO) nanocomposites for high-performance supercapacitor applications. X-ray diffraction (XRD) analysis confirmed the presence of the MoS2 crystalline phase, with reduced peak intensities upon GO incorporation, indicating suppressed crystallite growth. Scanning electron microscopy (SEM) revealed rod-like MoS2 structures uniformly distributed across layered GO sheets, and energy-dispersive spectroscopy (EDS) confirmed the presence of Mo, S, C, and O elements. Raman and FTIR analyses verified strong interfacial interactions between MoS2 and GO. Brunauer–Emmett–Teller (BET) measurements revealed a mesoporous structure with a specific surface area of ~31.7 m2 g−1 and… More >

  • Open Access

    ARTICLE

    Bonding Properties of the Graphene/Aluminum Interface with Transition Metal Coating: A First-Principles Study

    Xiaoming Du1, Jiahui Guo1, Gaohan Liao1, Tianfu Li2,*, Haicheng Liang1,*

    CMC-Computers, Materials & Continua, Vol.87, No.3, 2026, DOI:10.32604/cmc.2026.078760 - 09 April 2026

    Abstract Graphene has excellent mechanical, electrical and optical properties, which make it an ideal reinforcement phase for aluminum matrix composites. However, graphene is easy to agglomerate and has poor wettability with the aluminum matrix, resulting in unsatisfactory effects when added to the aluminum matrix. In this paper, the effects of transition metals (Cu, Ni, Co) on the bonding properties at the graphene/aluminum interface were systematically investigated using first-principles calculations. The computational results reveal significant differences in the effects of various metals and their crystal plane orientations on interface stability and bonding strength. Among Cu, Ni, Co… More >

  • Open Access

    ARTICLE

    Physics-Informed Neural Networks for Bending Analysis of Graphene Origami-Enabled Auxetic Metamaterial Beams Based on Modified Coupled Stress Theory

    Zuoquan Zhu*, Menghan Wang, Xinyu Li, Mengxin Zhao

    CMC-Computers, Materials & Continua, Vol.87, No.3, 2026, DOI:10.32604/cmc.2026.076418 - 09 April 2026

    Abstract Investigating the deformation behavior of graphene-reinforced composite structures holds significant engineering implications, while the rapid advancement of machine learning has introduced new technical approaches to structural bending analysis. In this study, we investigate the mechanical bending behavior of graphene origami (GOri)-enabled auxetic metamaterial beams using a physics-informed neural network (PINN). GOri-enabled auxetic metamaterials represent an innovative composite system characterized by a negative Poisson’s ratio (NPR) and superior mechanical performance. Here, we propose a composite beam model incorporating the modified coupled stress theory (MCST) and employing the PINN method to solve higher-order bending governing equations. Compared More >

  • Open Access

    REVIEW

    Multifunctional Carbonaceous Nanoreinforced Polymeric Nanofibers—Bridging Fundamental Aspects to Technological Resolves

    Ayesha Kausar*

    Journal of Polymer Materials, Vol.43, No.1, 2026, DOI:10.32604/jpm.2026.078233 - 03 April 2026

    Abstract Purpose of this novel review article is to unfold the current scientific worth of high performance polymer nanocomposite nanofibers, owing to growing scientific interests in this field. Accordingly, this state-of-the-art manuscript has been systematically categorized into distinct sections related to (i) fundamentals of carbonaceous nanoreinforcements, (ii) design-structure-property-performance aspects of different categories of polymer nanocomposite nanofibers (conducting polymers, thermoplastics, and thermosets with carbonaceous nanofillers (carbon nanotubes, graphene, fullerene), and then (iii) existing scientific worth (energy devices, electronics, space/defense, environmental sectors), future prospects, challenges, and conclusions. As per literature to date, polymer/carbonaceous nanocomposite nanofibers had myriad of advantageous physical… More > Graphic Abstract

    Multifunctional Carbonaceous Nanoreinforced Polymeric Nanofibers—Bridging Fundamental Aspects to Technological Resolves

  • Open Access

    ARTICLE

    Multi-Scale Modelling and Simulation of Graphene–PDMS and CNT–PDMS Flexible Capacitive Pressure Sensors for Enhanced Sensitivity

    Rama Gautam1,*, Nikhil Marriwala1, Reeta Devi1, Dhariya Singh Arya2

    CMC-Computers, Materials & Continua, Vol.87, No.2, 2026, DOI:10.32604/cmc.2026.076136 - 12 March 2026

    Abstract In this study, the multi-scale (meso and macro) modelling was used to predict the electric response of the material. Porosity was introduced through a sugar-templating process to enhance compressibility and sensitivity. Mean-field homogenization was employed to predict the electrical conductivity of the nanocomposites, which was validated experimentally through IV characterisation, confirming stable Ohmic behavior. The homogenised material parameters were incorporated into COMSOL Multiphysics to simulate diaphragm deflection and capacitance variation under applied pressure. Experimental results showed a linear and stable capacitance response at the force magnitude of 0–7 N. The Graphene nanoplatelets (GnP)–Polydimethylsiloxane (PDMS) sensor demonstrated More >

  • Open Access

    ARTICLE

    Computational Analysis of Thermal Buckling in Doubly-Curved Shells Reinforced with Origami-Inspired Auxetic Graphene Metamaterials

    Ehsan Arshid*

    CMES-Computer Modeling in Engineering & Sciences, Vol.146, No.1, 2026, DOI:10.32604/cmes.2025.074898 - 29 January 2026

    Abstract In this work, a computational modelling and analysis framework is developed to investigate the thermal buckling behavior of doubly-curved composite shells reinforced with graphene-origami (G-Ori) auxetic metamaterials. A semi-analytical formulation based on the First-Order Shear Deformation Theory (FSDT) and the principle of virtual displacements is established, and closed-form solutions are derived via Navier’s method for simply supported boundary conditions. The G-Ori metamaterial reinforcements are treated as programmable constructs whose effective thermo-mechanical properties are obtained via micromechanical homogenization and incorporated into the shell model. A comprehensive parametric study examines the influence of folding geometry, dispersion arrangement, More >

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