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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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Experimental Study on Mechanical and Tribological Characterization of Arecanut Shell Fibre Reinforced Composites with MWCNT Nanofillers
Abstract: Natural fiber-reinforced composites (NFRCs) are emerging as sustainable alternatives to conventional synthetic composites due to their eco-friendliness, cost-effectiveness, and favorable mechanical properties. This study evaluates the mechanical and tribological performance of Areca Nutshell Fiber (ANSF)-reinforced epoxy composites with multi-walled carbon nanotubes (MWCNTs) as nanofillers. The composites were fabricated using the vacuum bag molding technique. Tensile tests assessed strength, modulus, and elongation, while flexural tests evaluated bending resistance. Pin-on-disc tests examined …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 47–64 Read article
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Mechanical Characterization of Kevlar 49 and Pina Fiber Hybrid Composites
Abstract: The pursuit of sustainable yet high-performance materials has accelerated research into hybrid composites that combine synthetic and natural fibers. This study investigates the fabrication and characterization of a Kevlar 49/Pina fiber hybrid composite using epoxy resin as the matrix. Kevlar 49, known for its exceptional tensile strength and energy absorption, was employed as the face sheet material, while Pina fiber, a biodegradable reinforcement extracted from pineapple leaves, was incorporated as …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 301–316 Read article
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Sustainability and Mechanical Performance Evaluation of Cementitious Composites Reinforced with Waste Rubber Aggregates and Ground Granulated Blast Furnace Slag
Abstract: The development of environmentally responsible composite materials has gained global momentum with the shift toward circular and sustainable construction practices. In this work, the performance of cementitious composites that partially substitute natural fine and coarse aggregates with recycled rubber aggregates from end-of-life tires and Ground Granulated Blast Furnace Slag (GGBS) as an additional cementitious material is examined. A total of thirty composite mixes were formulated by varying GGBS (10–30%) and …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1164–1180 Read article
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Comprehensive Review of Composite Materials: Classification, Manufacturing Methods, Mechanical Behavior, Failure Modes, and Emerging Applications
Abstract: Composite materials have emerged as one of the most significant classes of engineered materials due to their ability to deliver high strength to weight ratios, enhanced durability, and tailored multifunctionality. Over the past two decades, rapid progress in polymer chemistry, advanced reinforcement architectures, additive manufacturing, and automated fabrication has expanded the applicability of composites across aerospace, automotive, biomedical, civil, and renewable energy sectors. This paper provides a comprehensive review of …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 923–939 Read article
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Mechanical and Thermal Performance of PETG Composites Reinforced with Short Carbon Fibers via Fused Filament Fabrication
Abstract: The study investigates the fabrication and characterization of polyethylene terephthalate glycol (PETG) composites reinforced with short carbon fibers (CF) using the fused filament fabrication (FFF) technique. Composite filaments with varying CF weight fractions (0, 5, 10, 15, and 20 wt%) were produced and evaluated for their mechanical, thermal, and morphological performance. The influence of CF reinforcement on tensile, flexural, and impact behavior was systematically examined, alongside thermal stability metrics including …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 1219–1238 Read article
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Investigation on The Effect of Carbon Fiber Reinforcement on The Mechanical and Physical Properties of FDM 3d Printed PLA
Abstract: In this work, the effects of annealing on the physical properties and mechanical behavior of short-carbon-fiber-reinforced polylactic acid (CF/PLA) composites made using fused deposition modeling (FDM) are systematically investigated. Pristine PLA and CF/PLA composites with 10% fibers have been made and evaluated in accordance with ASTM standards. Tensile, bending, and hardness tests were used to evaluate the performance of as-received and annealed composites. The tensile and hardness properties of PLA …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 284–298 Read article
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Molecular Docking of Abroma augusta Phytocompounds Against Estrogen Receptor Alpha (Er-Α) for the Treatment of Menstrual Disorders
Abstract: Menstrual disorders, including dysmenorrhea (painful menstruation), amenorrhea (absence of menstruation), and irregular menstrual cycles, significantly impact women’s reproductive health and overall well-being. These conditions often arise from hormonal imbalances, inflammation, and uterine dysfunction, necessitating effective therapeutic interventions. Current treatments, such as hormonal therapies (oral contraceptives, progestin-only pills), NSAIDs, and surgical procedures (endometrial ablation, hysterectomy), provide relief but often target symptoms rather than addressing the underlying causes. Consequently, there is a …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 2, 2025 · pp. 1–12 Read article
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High-Velocity Impact Response of CFRP and Hybrid Composites: A Comprehensive Review on Ballistic Resistance and Damage Mechanisms
Abstract: This review consolidates recent advances in the study of high-velocity impact response of carbon fiber reinforced polymer and hybrid composites. Carbon fiber reinforced polymer composites are widely applied in aerospace, automotive, and defense due to their high strength-to-weight ratio, stiffness, and durability. However, their susceptibility to impact damage such as delamination, matrix cracking, and fiber breakage limits their performance under dynamic loading. To overcome these challenges, researchers have explored reinforcement …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 100–122 Read article
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AI-Enabled Optimization of Additively Manufactured Composite Materials for Enhanced Mechanical and Thermal Performance
Abstract: This paper discusses the optimization of multi-objective optimization of enhanced coupling of heat and mechanical properties of 3D printed polymer composite materials by artificial intelligence (AI), as a component of a multi-objective optimization framework. It aims at development of nonlinear printing parameters and material properties relationships to achieve maximum tensile strength and thermal conductivity in polymer composites produced through fused deposition modeling (FDM). Short carbon fiber reinforcement was used to …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 867–891 Read article
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Enhancement of Mechanical Properties in Eutectic Al-Si Alloy Matrix Composites Reinforced with Kyanite and Graphite via Stir Casting
Abstract: The purpose of this work is to enhance the mechanical performance of a eutectic Al–Si alloy by incorporating hard ceramic (kyanite) and soft solid lubricant (graphite) reinforcements using a liquid-state stir casting route. Metal matrix composites were fabricated with kyanite contents of 2, 4, and 6 wt.% and a constant 2.5 wt.% graphite. Their microstructures and mechanical properties were systematically evaluated. The microstructure was examined using optical microscopy and energy …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 90–100 Read article
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Comparative Study of the Mechanical and Durability Performance of Interlocking Concrete Pavement Blocks
Abstract: Interlocking concrete pavement blocks (ICPBs) have emerged as a durable, modular, and sustainable alternative to traditional pavement systems. Their performance depends heavily on the mechanical characteristics of the concrete mix, block geometry, compaction technique, and curing conditions. This review compiles and analyzes research findings related to the strength, durability, structural behavior, and long-term performance of ICPBs produced using traditional and modified concrete mixes. Key parameters evaluated include compressive strength, split …
Published in Trends in Transport Engineering and Applications · Vol. 13, Issue 1, 2026 · pp. 24–30 Read article
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Mechanical and Functional Performance of PET–Kenaf Fiber Hybrid Composites for Domestic Household Applications
Abstract: This research presents a hybrid composite of recycled polyethylene terephthalate (PET) and Kenaf fibers for sustainable household applications. Polyethylene terephthalate from consumer bottles was reinforced with Kenaf fibers at volume fractions of 10–30% and composites were created through compression molding. Mechanical characterization involved tensile, flexural, impact, and hardness testing where appropriate and was standardized according to ASTM standards, while their interfacial interactions were characterized by imaging through SEM. Linear and …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 1482–1498 Read article
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Integrated Perspectives on Fluid Mechanics and Energy Transport in Complex Flow Systems
Abstract: Fluid mechanics plays a central role in understanding the transport of mass, momentum, and energy in complex flow systems encountered in both natural and engineered environments. This review presents an integrated perspective on fluid behavior by combining fundamental principles with modern approaches to energy transport analysis. The study emphasizes the significance of conservation laws and their application to diverse flow regimes, including laminar, turbulent, compressible, and multiphase flows. Energy transport …
Published in Recent Trends in Fluid Mechanics · Vol. 13, Issue 1, 2026 · pp. 22–31 Read article
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In Silico Screening and Molecular Docking of Cynodon dactylon phytochemicals against COPD-Associated Proteins
Abstract: Chronic Obstructive Pulmonary Disease or COPD is a pulmonary disease that obstructs airways and alveoli accompanied by respiratory issues like emphysema and bronchitis. This disease is caused mainly by inflammatory responses of the body to foreign particles that enter the respiratory path including tobacco smoke, air pollutants and irritants. The hallmark of COPD is excessive inflammation caused by imbalance in protease anti-protease activity. Proteases like elastase breakdown the ECM of …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 16, Issue 2, 2026 Read article
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Enhancement of Mechanical and Tribological Properties of Aluminum-Titanium Carbide (Al-TiC) Metal Matrix Composites via Powder Metallurgy
Abstract: Metal matrix composites (MMCs) have emerged as a result of the increasing need for sophisticated lightweight materials with exceptional mechanical and tribological qualities. For structural and wear-critical applications, aluminum-based composites supplemented with ceramic particles such as titanium carbide (TiC) have shown great promise. In this work, aluminum-TiC composites made by powder metallurgy a process that guarantees even particle dispersion, regulated porosity, and the creation of near-net shapes are fabricated, mechanically …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 366–374 Read article
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Mechanical Characterization and Machinability Optimization of Stir-Cast Al6061–SiC Metal Matrix Composites
Abstract: This study presents the fabrication, mechanical characterization, metallurgical analysis, and machinability optimization of Aluminum 6061 reinforced with Silicon Carbide (SiC) metal matrix composites (MMCs) at three weight fractions: 5%, 7.5%, and 10%. Composites were manufactured using the stir casting technique, followed by comprehensive mechanical testing (tensile, hardness, and impact), optical microscopy, and scanning electron microscopy (SEM). Machinability was assessed through turning experiments on a lathe using an L9 Taguchi orthogonal …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article
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Molecular Docking, QSAR Modeling, and ADMET Evaluation of Novel Pyrazolo-Pyrimidine Derivatives as Potential CDK-2 Inhibitors for Cancer Therapy
Abstract: Cyclin-dependent kinase-2 (CDK-2) is an essential regulator in cell cycle progression and is an important therapeutic target in cancer drug development. In the present study, an integrated computational approach involving molecular docking studies, QSAR modeling, ADMET prediction, and artificial intelligence-based analysis was used to identify pyrazolo-pyrimidine derivatives as potential CDK-2 inhibitors. Based on the molecular docking results, it was found that selected compounds exhibited high binding affinity towards the ATP …
Published in Research and Reviews: A Journal of Pharmacology · Vol. 16, Issue 2, 2026 Read article
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Phytotherapeutic Potential of Melaleuca: An Integrative Review of Phytochemistry and Antimicrobial, Antifungal, Antioxidant, and Antiviral Mechanisms
Abstract: Melaleuca alternifolia and other species of the Melaleuca genus stand out for the broad spectrum of pharmacological properties attributed to their bioactive compounds, such as monoterpenes, sesquiterpenes, flavonoids, and polyphenols. This study aimed to critically review and analyze scientific evidence produced between 2005 and 2025 regarding the antimicrobial, antifungal, antioxidant, and antiviral activities of Melaleuca, correlating its phytochemistry with molecular mechanisms of action. For this purpose, an integrative literature review …
Published in Research & Reviews : Journal of Herbal Science · Vol. 15, Issue 2, 2026 Read article
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Study of an Improved Quantum Particle Swarm Optimization-Based Framework for Neural Network Optimization in Modelling of Polymer Data
Abstract: The accurate forecasting of polymer viscosity at various physicochemical conditions has been quite critical due to the nonlinear interactions and interrelations between the variables. This paper suggests a better hybrid modelling framework, which involves the use of Artificial Neural Networks (ANN) and more advanced versions of Quantum Particle Swarm Optimization (QPSO) to better predict polymer viscosity. The input parameters taken are, namely, log (shear rate), polymer concentration, NaCl concentration, Ca …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Generative AI-Based Inverse Design of Sustainable Biodegradable Polymers with Target Mechanical and Thermal Properties
Abstract: The escalating global plastic pollution crisis has intensified the urgent need for sustainable biodegradable polymer alternatives that can match or exceed the performance of conventional petroleum-based plastics while minimizing environmental impact. However, traditional polymer discovery approaches are severely constrained by high experimental costs, protracted development cycles spanning years, and fundamental inability to simultaneously optimize multiple conflicting material properties such as mechanical strength, thermal stability, and degradation kinetics. This study presents …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article