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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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IoT Sensors to Monitor Pipeline Pressure and Flow Rate Combined with ML-Algorithms to Detect Leakages
Abstract: In the field of fluid mechanics, pipelines are the lifeblood of industries, transporting everything from natural gas and oil to water and chemicals. Maintaining their integrity is paramount for safety, economic efficiency, and environmental protection. Traditional leak detection methods explained in fluid mechanics can be slow, expensive, and sometimes fail to identify small leaks early enough to prevent significant damage. However, the convergence of Internet of Things (IoT) and Machine …
Published in Recent Trends in Fluid Mechanics · Vol. 12, Issue 2, 2025 · pp. 40–48 Read article
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Quality Sustainability Of Recycled High Density Polyethylene (HDPE)
Abstract: The main way to reduce the generated large amounts of polymer waste is their recycling, their return to the processes of processing and reuse. The main and most commonly used method is mechanical recycling, in which some of the characteristics of the processed material deteriorate. It is known that the properties of the recyclate are most significantly affected by the homogeneity and the degree of aging of the end-of-life plastic …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 28–37 Read article
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Polymer Matrix-Based High-Performance Thermoplastic Composites for Automotive Applications: Design, Characterization, and Interface Behavior
Abstract: The study emphasizes the role of high-performance thermoplastic polymer matrices such as PEEK, PPS, and PA6, selected for their superior thermal stability, mechanical strength, and recyclability in automotive environments. The expanded usage of electric vehicles (EVs) and self-driving transportation creates a demand for advanced materials which are weight-conscious yet high in strength relative to their weight, impact-resistant yet still being environmentally friendly. This study aims to create and define fiber-reinforced …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 216–237 Read article
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Influence of Hybrid Fiber Reinforcement on the Interfacial Bonding and Fracture Toughness of Epoxy-Based Polymer Composites Under Cyclic Loading
Abstract: This study investigates the influence of hybrid fiber reinforcement on the interfacial bonding and fracture toughness of epoxy-based polymer composites under cyclic loading. Carbon, glass, and aramid fibers, both individually and in hybrid combinations, were incorporated into the epoxy matrix to evaluate their thermal, mechanical, and fatigue-resistant properties. Thermal characterization revealed distinct material behaviors, with carbon fibers exhibiting superior thermal conductivity, while glass and aramid fibers provided enhanced thermal stability. …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 799–824 Read article
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Solar-Responsive Photo-Thermal Polymer Composites with Carbon Nanostructures for On-Demand Water Purification
Abstract: The development of solar-responsive polymer nanocomposites offers a sustainable pathway for water purification. In this work, polyvinyl alcohol (PVA) films reinforced with graphene nanoplatelets (GNPs) and multi-walled carbon nanotubes (MWCNTs) were fabricated and systematically investigated for their mechanical, thermal, viscoelastic, and thermal transport properties. Neat PVA displayed moderate tensile strength (~38 MPa) and high elongation (~165%), whereas 1.0 wt% nanofiller loading enhanced tensile strength to ~52 MPa and modulus to …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 199–209 Read article
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Enhancement in Performance of Conventional concrete mixes by using hybridization with steel & polypropylene fibres
Abstract: This experimental study evaluates the influence of incorporating steel and polypropylene fibers on the mechanical performance of high- performance concrete (HPC) across M30, M35, and M40 grades. This research focuses on evaluating the mechanical properties of High- Performance Concrete (HPC) enhanced with a hybrid reinforcement system consisting of steel fibers (SF) and polypropylene fibers (PPF). Steel fibers are utilized to improve the compressive and tensile strengths, while polypropylene fibers contribute …
Published in Journal of Structural Engineering and Management · Vol. 12, Issue 3, 2025 Read article
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Using Machine Learning to Guess Photochemical Reaction Pathways
Abstract: Photochemical reactions are crucial to many activities in the fields of energy conversion, environmental cleanup, and synthetic chemistry. However, predicting their causes and results effectively is still very hard since they entail excited electronic states, nonadiabatic transitions, and complicated potential energy surfaces. Machine learning (ML) has been a powerful technique to go along with classic quantum chemistry methods in the last few years. It offers better prediction capability and lower …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 3, Issue 2, 2025 · pp. 01–12 Read article
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Investigation of the independent and combined roles of Gr and ZrO₂ on strengthening behaviour of Al-7075 Composites
Abstract: This study investigates the effect of individual and hybrid reinforcements on the mechanical and microstructural behaviour of Al7075 composite fabricated using the 2-step stir-casting technique. Four compositions were made with the base Al-7075, Al-7075 3 weight % ZrO2, and Al-7075 3 weight % Gr as well as a hybrid composite Al7075 with 3 wt.% Gr, 3 wt.% ZrO2. 2-step stir-casting was used to increase the wettability of the particles, decrease …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1060–1075 Read article
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In Vivo Biocompatibility and Interfacial Stability of Thermoplastic Polyurethanes and Nanofilled Resin Composites: A Bioanalytical Study of Polymer-Host Interactions Under Dynamic Loading
Abstract: The widespread application of thermoplastic polyurethanes (TPU) and nanofilled resin composites in biomedical devices requires rigorous assessment of their biocompatibility under mechanical stress. While nanofilled composites utilize filler particles (<100 nm) to enhance surface properties and wear resistance, the biological response to these materials in a hydrolytic, enzymatic environment remains a critical area of investigation. Objective: To analyze the in vivo bio-molecular response at the interface of TPU aligners and …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1112–1119 Read article
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Polymer Electrolytes for Flexible Energy Storage
Abstract: The research explores polymer electrolytes as promising materials for flexible energy storage applications, driven by the growing demand for wearable and portable electronics. Polymer electrolytes, including solid, gel, and composite types, offer key advantages such as mechanical flexibility, lightweight design, and improved safety over traditional liquid electrolytes. This study reviews recent developments in materials like polyethylene oxide (PEO), polyvinylidene fluoride (PVDF), and ionic liquid-based systems, focusing on their ionic conductivity, …
Published in International Journal of Advance in Molecular Engineering · Vol. 4, Issue 1, 2026 · pp. 27–35 Read article
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Influence of Infill Density on Structural Performance of FDM-Processed PET-G Polymer: Experimental Validation through Quadcopter Flight Testing
Abstract: Polyethylene terephthalate glycol-modified (PET-G) is an amorphous thermoplastic copolymer increasingly adopted in structural applications through fused deposition modeling (FDM). However, the correlation between FDM processing parameters, especially infill density, and mechanical performance of PET-G parts remains inadequately characterized under real-life loading conditions. This study investigates how infill density (10% and 30%, grid pattern) influences the structural integrity of FDM-processed PET-G components, validated experimentally through quadcopter airframe fabrication and flight testing. …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 644–656 Read article
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Design and Performance Evaluation of PLA-based Umbrella Wheels for Stair-Climbing Robotic Applications
Abstract: Staircase climbing robots require a complex design capable of navigating various stair configurations. A crucial component of such robots is the wheel mechanism. This paper focuses on the umbrella wheel mechanism and its application in staircase climbing robots. In this study, a PLA–based umbrella wheel structure is developed and fabricated using fused deposition modeling (FDM) for application in stair-climbing robots. The umbrella wheel geometry enables transformation from a circular rolling …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 808–824 Read article
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Performance Evaluation of Kevlar-Sisal-S-Glass Hybrid Composites with Ceramic Fillers for Structural Applications
Abstract: This study examines the mechanical properties of hybrid composite laminates reinforced with Kevlar, sisal, and S-glass fibers, and incorporating ceramic fillers—silicon carbide (SiC) and aluminum oxide (Al2O3)—within an epoxy matrix. The hand lay-up method was utilized to produce the laminates, ensuring a uniform fiber stacking sequence and including 10% filler material. Two composite variations were synthesized: one incorporating SiC and the other Al₂O₃, and both underwent tensile, flexural, hardness, and …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 Read article
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Review in Friction Stud Welding of Aluminium to Steel
Abstract: The demand for friction stud welded aluminum/steel joints has increased in many significant applications including cryogenics, structural engineering, spacecraft, rocket fuel tanks and high vacuum chambers owing to their superior properties. In automobile engineering, there is a requirement to join a mild steel earthing pin which is in the shape of a stud to an aluminum car body. Aluminum and steel was considered to join using friction stud welding. This …
Published in Journal of Thermal Engineering and Applications Read article
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Tinospora Sinensis Compounds for Zika Virus Targets 5JRZ and 5KVD In Silico Screening: A Potential Approach to Preventing Guillain-Barre Syndrome
Abstract: Objective: GBS is a very rare kind of disease but at the same time, it is very dangerous too. The study estimates that people who are suffering from zika virus infection are more prone to GBS. According to surveys, 1 out of 4000 people got affected by this disease, and the scariest part of this disease is that there is no cure available. In this computational era drug discovery is …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 · pp. 1–15 Read article
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Evaluation of Modified Nanoparticles' Effects on Polypropylene Composites
Abstract: Numerous sectors use nanoparticles and nanocomposites in a range of applications, including medicine, textiles, cosmetics, agriculture, optics, food packaging, optoelectronics, semiconductors, aerospace, building materials, and catalysis. Polymeric nanocomposites, which combine organic polymers with inorganic nanoparticles, are a novel family of materials that perform better than their microparticle counterparts. They should therefore enhance the field of engineering applications. A polymer matrix's characteristics can be drastically changed by the addition of inorganic …
Published in International Journal of Pollution: Prevention & Control · Vol. 1, Issue 2, 2023 · pp. 23–34 Read article
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Optimum Machining Parameters for Al 7075 Hybrid Metal Matrix Composites Using Multi-objective Optimization Technique and the Modified Taguchi Approach
Abstract: Lightweight composite materials with improved mechanical properties are widely used in industries. There is a need to obtain optimum machining parameters of such hybrid composites. This paper uses reliable multi-objective optimization technique and modified Taguchi approach to determine optimal machining parameters such as speed (NS) varying from 1000 rpm to 1500 rpm, feed rate (FR) from 0.10 mm/rev to 0.20 mm/rev, depth-of-cut (DC) varied from 0.5 mm to 1.5 mm …
Published in Journal of Polymer & Composites · Vol. 11, Issue 8, 2023 · pp. 269–278 Read article
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Comprehensive Review of Recycled Aggregate Concrete in Construction: Suitability, Properties, and Sustainable Practices
Abstract: Concrete production, integral to construction and demolition processes, generates substantial waste. This waste can be repurposed as recycled aggregates in new concrete production, offering sustainable solutions and addressing resource management and environmental concerns. This literature review explores the utilization of construction and demolition waste as aggregates in recycled aggregate concrete (RAC), with a focus on key areas, including the suitability of RAC, its fresh properties, mix design, mechanical characteristics, and …
Published in Recent Trends in Civil Engineering & Technology · Vol. 14, Issue 1, 2024 · pp. 1–8 Read article
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Investigation on Basalt Based High Performance Concrete
Abstract: The study aims to explore the potential of basalt fibers and metakaolin in enhancing the mechanical, durability, and microstructural characteristics of concrete. The investigation begins with a thorough literature review is conducted to ascertain the present status of information regarding metakaolin, basalt fibers, and their impact on concrete. The experimental program involves the formulation of concrete mixtures with varying percentages of basalt fibers and metakaolin, alongside a control mixture without …
Published in Journal of Polymer & Composites · Vol. 11, Issue 10, 2023 · pp. 1–8 Read article
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Advancements in graphene reinforced metal matrix composites: A comprehensive review
Abstract: The Present pollution norms insist automobile manufacturers to make use of ultra-high specific strength materials i.e., materials ahead of conventional metal matrix composites (MMCs) with micro-sized reinforcements. With the advent of nanomaterials, nanocomposites are being developed with properties that overcome the limitations for metals or composites with micro-sized reinforcements. In recent years, the family of graphene-based materials, in particular, graphene nanoplatelets (GNPs) reinforced MMCs offering promising solutions to revolutionize the …
Published in Journal of Polymer & Composites · Vol. 12, Issue 1, 2024 · pp. 177–189 Read article