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1969 articles for “quantum mechanics/molecular mechanics (QM/MM)” (ranking capped at the first 2,000 matches — narrow the search to see the rest)
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Electroactive Graphene–Polymer Nanocomposites for Self-Sustaining and Multifunctional Flexible Devices
Abstract: Graphene–reinforced polymer–composites were developed and systematically investigated to explore their multifunctionality in flexible electronic applications. The study specifically aims to correlate graphene-induced structure–property–function relationships with electroactive performance and self-sustaining behaviour in flexible devices. The hybridization of electroactive polymers—polyaniline (PANI), poly(3,4-ethylenedioxythiophene): polystyrene sulphonate (PEDOT:PSS), and polyvinylidene fluoride (PVDF)—with graphene nanoplatelets enabled simultaneous enhancement of electroactivity, energy-harvesting, and sensing functionalities. Morphological studies confirmed uniform graphene dispersion at 5 wt.% loading, forming continuous …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 260–271 Read article
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The Characteristics of Square-Well Fluid Transport Coefficients
Abstract: The transport coefficients of the hard-sphere system were first computed by Alder, providing foundational insight into the microscopic origins of viscosity, diffusion, and thermal conductivity in simple fluids. Building on this framework, Evans derived a generalized Langevin equation to describe the time evolution of dynamical variables, incorporating memory effects and non-Markovian behavior in molecular motion. These theoretical developments established a bridge between microscopic interactions and macroscopic transport properties. When an …
Published in Research & Reviews : Journal of Physics · Vol. 14, Issue 3, 2025 · pp. 33–44 Read article
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Exploring the Impact of Micro plastics on Soil Ecosystems and Agricultural Productivity
Abstract: This research paper delves into the concerning issue of microplastic contamination in soil ecosystems and its potential consequences for agricultural productivity. Microplastics, defined as plastic particles smaller than 5 millimetres, have garnered significant attention for their adverse impacts on marine environments, yet their effects on soil ecosystems have been relatively overlooked. Through a review of existing literature and empirical analysis, this paper aims to elucidate the mechanisms by which microplastics …
Published in Research & Reviews : Journal of Agricultural Science and Technology · Vol. 14, Issue 3, 2025 · pp. 85–89 Read article
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Synthesis and Characterization of Graphene-Based Hydroxyapatite Using Hydrothermal Method for Its Biomedical Application
Abstract: Developing bone implant materials that combine biological compatibility with mechanical strength remains a major challenge in orthopedic research. Hydroxyapatite (HAp) closely mimics bone mineral and supports cell growth, but its brittleness limits load-bearing applications. To address this, a quaternary nanocomposite of hydroxyapatite (HAp), graphene (Gr), zirconia (ZrO2), and ferrocene (Fc) (Hap-Gr-ZrO₂-Fc) was synthesized through a one-step hydrothermal process. Graphene and zirconia provided reinforcement, while ferrocene contributed structural stability and carbon …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 120–135 Read article
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Future Challenges of Photocatalytic Water Splitting: Sustainability
Abstract: Photocatalytic water splitting has emerged as a promising technology for sustainable hydrogen production through the direct utilization of solar energy. This process mimics natural photosynthesis, using semiconductor materials to absorb light and drive the decomposition of water into hydrogen and oxygen. The method provides a sustainable and eco-friendly solution to the global energy challenge by enabling the reduction of carbon emissions. Among various solar-to-chemical energy conversion approaches, photocatalytic water splitting …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 3, Issue 2, 2025 · pp. 43–48 Read article
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Flaws and Defects in Crystals
Abstract: Crystalline materials are defined by their long-range atomic order; however, no real crystal is completely free from imperfections. This article provides a comprehensive overview of the various types of crystal defects and imperfections that occur in solid materials and their significant influence on material properties. Point defects, including vacancies, interstitials, and substitutional atoms, are examined alongside line defects such as edge and screw dislocations, as well as planar defects encompassing …
Published in International Journal of Crystalline Materials · Vol. 2, Issue 2, 2025 · pp. 1–15 Read article
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Energy Storage Properties of hy-BST3/PVDF Nanocomposite for Dielectric Capacitor Application
Abstract: In the present research work, we have synthesized the ferroelectric ceramic Ba0.7 Sr0.3TiO3 (BST3)/PVDF (Polyvinylidene difluoride). Polymer nanocomposites for energy storage applications, designed to synergistically combine the high dielectric permittivity of hydroxylated barium strontium titanate (hy-BST3) with the mechanical flexibility and electroactive properties of poly(vinylidene fluoride) (PVDF). Hydroxylated Barium Strontium Titanate (hy-BST3) has been synthesized using the sol-gel combustion method followed by surface hydroxylation using H2O2 to achieve nanoscale particles …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 908–918 Read article
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Hardware Solution for LVRT Enhancement Techniques in DFIG - A Review
Abstract: With the advancement of wind power technology, penetration of wind power to power systems has increased significantly. Grid codes require that the wind generators should remain connected for specified time even under low voltage conditions. Stricter grid code requirements are now necessary to assure system stability and reliability due to the growing integration of wind power into contemporary power networks, which is being pushed by the quick development of wind …
Published in International Journal of Electrical Power and Machine Systems · Vol. 3, Issue 2, 2025 · pp. 59–73 Read article
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Comparative Analysis of Disc Brake Using Eco-Friendly Material
Abstract: Brakes are crucial components for slowing or stopping the vehicle. Almost all vehicles use disc brakes. The working of a disc brake is simple; when the brake pedal is pressed, braking pads are forced mechanically against the rotor or disc on both surfaces. The friction generated between the rotor and brake pads slows down the vehicle. The design and materials of disc brakes play a significant role in their performance. …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 532–544 Read article
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A Decade of Viral Evolution (2015–2025): Emergence, Mutations, and Implications for Global Health
Abstract: Over the past decade (2015-2025), viral evolution has profoundly reshaped the global health landscape, challenging healthcare systems, diagnostic tools, therapeutic strategies, and vaccine efficacy. This review comprehensively analyzes the evolutionary trajectories of major human and zoonotic viruses, with a focus on pandemic-prone, drug-resistant, and emerging pathogens. Viral evolution is driven by diverse molecular mechanisms including high mutation rates, recombination, reassortment, host immune pressure, and antiviral interventions, leading to genetic diversification, …
Published in International Journal of Vaccines · Vol. 2, Issue 2, 2025 · pp. 31–40 Read article
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The Future of Robotics: A Review of AI-Enabled Robotics Research, Development, and Applications
Abstract: Robotics powered by artificial intelligence (AI) is transforming contemporary industries by empowering machines to learn, adapt, and operate on their own in intricate, changing contexts. The breadth and capabilities of automation have been greatly expanded by the convergence of AI technologies with robots, including machine learning, deep learning, computer vision, and natural language processing (NLP). With an emphasis on technological advancements, application areas, and research advances, this study examines current …
Published in International Journal of Robotics and Automation in Mechanics · Vol. 3, Issue 2, 2025 · pp. 33–38 Read article
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Enhancing Surface Roughness in the Taguchi Method for Turning Alloy Steel in Wet and Dry Environments
Abstract: The present investigation focuses on evaluating the performance of turning operations in alloy steel with particular emphasis on the effect of cutting parameters on surface roughness. In the machining of alloy steel, tool life and surface integrity are significantly influenced by parameters such as spindle speed, depth of cut, and feed rate. Among these, feed rate has been observed to exert the most prominent effect on surface roughness. To systematically …
Published in International Journal of Robotics and Automation in Mechanics · Vol. 3, Issue 2, 2025 · pp. 1–6 Read article
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Smart Material–Based Energy Conversion and Storage Solutions in Industrial Engineering Systems
Abstract: A revolutionary step for attaining energy-efficient, sustainable, and intelligent industrial processes is the use of smart materials with industrial engineering systems. Advanced approaches to energy harvesting, conversion, and storage in industrial settings are made possible via smart materials, which are distinguished by their capacity to sense and react dynamically to mechanical, thermal, electrical, and external cues. These materials enable accurate energy recovery from vibrations in machinery, operational loads, waste heat, …
Published in International Journal of Industrial and Product Design Engineering · Vol. 3, Issue 2, 2025 · pp. 33–38 Read article
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Prediction of Depth-Induced Stress Distribution and Maintenance Cost Implications for Submerged Structural Components
Abstract: This study investigates the influence of water depth on stress distribution and structural integrity of submerged mechanical components . Structural models fabricated from mild steel, stainless steel, carbon steel, and copper alloy were examined under hydrostatic loading corresponding to water depths between 30 cm and 150 cm. Results indicate that normal and shear stresses increased proportionally with depth due to intensified hydrostatic pressure. Mild steel exhibited the highest stress concentrations, …
Published in International Journal of Fracture Mechanics and Damage Science · Vol. 3, Issue 2, 2025 · pp. 29–35 Read article
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Thermal Analysis of Natural Fiber and Hybrid Composites
Abstract: This study examines how natural fiber and hybrid composites reinforced with natural and glass fibers perform under thermal conditions specifically, the effects of temperature that are common in automotive and aerospace environments. To evaluate their behavior, the composites were tested at two elevated temperatures, 60°C and 70°C. Mechanical tests such as tensile and impact were conducted to simulate real-world operating conditions and assess how thermal, and moisture exposure influence the …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 1173–1196 Read article
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Employment of Solid-State Technology in Sensor Design: A Study
Abstract: The rapid evolution of sensor technologies has been driven by the demand for more precise, durable, and compact systems to meet the needs of modern industries, healthcare, and consumer electronics. Solid state technologies have emerged as a transformative force in sensor design, offering unprecedented performance, reliability, and integration potential. Unlike traditional sensors, which often rely on mechanical, electrochemical, or piezoelectric principles, solid state sensors leverage the intrinsic properties of materials …
Published in International Journal of Solid State Innovations & Research · Vol. 3, Issue 2, 2025 · pp. 31–41 Read article
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The Next Era of Solid-State Innovation: Beyond Silicon
Abstract: The semiconductor industry is getting close to the physical and economic boundaries of silicon-based technology. A new era of solid-state innovation is beginning. Beyond Silicon: The Next Era of Solid-State Innovation looks at the materials, device layouts, and manufacturing methods that are about to change the way electronics and energy work. The article talks about improvements in wide- and ultra-wide-bandgap semiconductors, two- dimensional materials, and quantum and neuromorphic systems that …
Published in International Journal of Solid State Innovations & Research · Vol. 3, Issue 2, 2025 · pp. 19–23 Read article
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A Study of Optical Sensor in Clinical applications
Abstract: The escalating demand for precise, real-time, and minimally invasive diagnostic and monitoring tools in clinical practice has propelled the development of sophisticated sensor technologies. Among these, optical sensors have emerged as a cornerstone, leveraging the interaction of light with biological matter to translate molecular or cellular events into quantifiable signals. Their inherent advantages – including high sensitivity, specificity, rapid response times, non-ionizing nature, and potential for miniaturization – make them …
Published in International Journal of Optical Innovations & Research · Vol. 3, Issue 2, 2025 · pp. 1–7 Read article
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Deploying Fuzzy Logic for Self-Tuning Regulator Design for Motion Control in Modern Electrical Machines
Abstract: Modern electrical machines require sophisticated motion control systems capable of adapting to varying operating conditions, load disturbances, and parameter uncertainties. Traditional self-tuning regulators (STR) based on classical control theory often struggle with nonlinearities, time-varying dynamics, and complex operational environments characteristic of contemporary electric drives. This article presents a comprehensive framework for deploying fuzzy logic in self-tuning regulator design to address these challenges in motion control applications. Fuzzy logic controllers leverage …
Published in International Journal of Electrical Machine Analysis and Design · Vol. 3, Issue 2, 2025 · pp. 11–21 Read article
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ML-Enhanced Self-Healing Fiber-Reinforced Polymer Composites with Embedded IoT Sensors for Damage Prediction
Abstract: Fiber-reinforced polymer (FRP) composites are widely used in aerospace and structural systems; nevertheless, the potential for microcracking and fatigue-induced performance degradation remains an obstacle with respect to improved service life. Traditional self-healing methods, while performing well on a chemical level, often lack real-time diagnostic awareness and adaptive control. To circumvent this, we developed a machine-learning augmented self-healing FRP composite, in which a DCPD–Grubbs catalytic matrix was combined with IoT sensor …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 188–208 Read article