Search
1969 articles for “quantum mechanics/molecular mechanics (QM/MM)” (ranking capped at the first 2,000 matches — narrow the search to see the rest)
Nothing matched all of your words, so these match any of them.
-
Advanced Functional Polymers and Their Synergistic Role in Smart Composite Materials for Sustainable Industrial Applications
Abstract: Advanced functional polymers have revolutionized composite materials, offering enhanced properties such as self-healing, electrical conductivity, environmental adaptability, and high mechanical strength. These innovations are reshaping industries by enabling smarter, more efficient, and sustainable solutions. Functional polymers play a pivotal role in producing high-performance composite materials to meet the growing demands of sustainable industrial applications. Significant improvements in material properties mechanical strength, durability, thermal stability, and recyclability are achieved through the …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 12–27 Read article
-
Energy-Efficient Thermal Management: Advanced Cooling Techniques for Electronics, Automotive, and Aerospace Applications
Abstract: The growing demand for energy-efficient systems across diverse industrial sectors, including electronics, automotive, aerospace, and renewable energy, has elevated the importance of advanced thermal management techniques. Effective heat dissipation is critical not only for maintaining optimal operating conditions in electronic devices but also for enhancing the performance and reliability of broader energy and mechanical systems. Inadequate thermal management can compromise energy efficiency, reduce component lifespan, and increase environmental impact. This …
Published in International Journal of Energy and Thermal Applications · Vol. 3, Issue 1, 2025 · pp. 18–23 Read article
-
High-Performance Biodegradable Films from Bamboo Derived Cellulose Nanofibers and Silk Fibroin: Engineering Sustainable Polymer Composites
Abstract: This research presents the advancement of biodegradable composite films from cellulose nanofibers (CNFs) extracted from bamboo and silk fibroin (SF) derived from Bombyx mori cocoons. CNF/SF composites were fabricated in three different compositions—CS10, CS30, and CS50—via aqueous blending and solution casting, followed by ethanol-induced β-sheet stabilization. Mechanical testing confirmed a considerable enhancement in tensile strength from 72 MPa (CS10) to 112 MPa (CS50), while Young’s modulus improved from 2.4 GPa …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 256–265 Read article
-
Harnessing Marine and Agro-Waste Resources: Bioengineered Seaweed Polysaccharide–Coconut Films for Next-Generation Sustainable Packaging
Abstract: The increasing demand for biodegradable alternatives to petroleum-based plastics has led to significant interest in marine biopolymer-based packaging materials. This study focuses on the development of eco-friendly biocomposite films by reinforcing carrageenan, extracted from Kappaphycus alvarezii, with alkali-treated coconut at varying loadings (5%, 10%, and 15% w/w). The films were fabricated via solvent casting and subjected to comprehensive characterization. Mechanical analysis revealed substantial enhancement in tensile strength from 21.3 MPa …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 217–227 Read article
-
An Experimental Investigation of High Performance by Using Steel and Polypropylene Fibres
Abstract: This study explores the feasibility of partially substituting conventional cement in concrete with steel and polypropylene fibers to improve mechanical performance and introduce alternative composite materials. Concrete cube specimens measuring 150 × 150 × 150 mm were cast with varying mix designs corresponding to M20 and M25 grades. The experimental program was executed in two distinct phases. In Phase I, control mixes of M20 and M25 grade concrete were prepared …
Published in Recent Trends in Civil Engineering & Technology · Vol. 15, Issue 3, 2025 · pp. 7–13 Read article
-
Critical Review on Basalt Fibre as Reinforcement in Different Applications
Abstract: Basalt fiber (BF), derived from volcanic rocks, has emerged as an attractive reinforcement material due to its remarkable properties, including high strength, stiffness, thermal stability, and eco-friendliness. This review critically examines the applications of BF as reinforcement in various fields, such as civil engineering, aerospace, automotive, and biomedical sectors. The performance of BF-reinforced composites in terms of mechanical, thermal, electrical, and biological properties is evaluated. The challenges and opportunities associated …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 670–685 Read article
-
Investigation and Optimization of Resistance Spot Welding Parameters for Stainless Steel
Abstract: The present work examines the significant impact of resistance spot welding (RSW) process parameters on the properties and efficacy of connections created in sheets of 316L stainless steel. This study examines the intricate relationship between welding parameters, investigating their influence on the microstructure, mechanical characteristics, and overall efficacy of welded connections. By employing a methodical experimental methodology, this study thoroughly investigates the impact of different factors in resistance spot welding …
Published in Journal of Thermal Engineering and Applications · Vol. 12, Issue 3, 2025 · pp. 15–21 Read article
-
In silico analysis of Abrus precatorius L. as a potential agonist of PPARγ : A novel approach to the treatment of diabetes
Abstract: Diabetes mellitus is a chronic disorder that is characterized by a lack of insulin secretion by the pancreas or a defect in insulin action, or both. If diabetes is not controlled, over time it can cause damage to blood vessels and nerves, leading to life-threatening complications such as, kidney damage, heart disease and vision impairment. It can also weaken the immune system, making patients more prone to infection. Although treatments …
Published in International Journal of Molecular Biotechnological Research · Vol. 3, Issue 2, 2025 Read article
-
Graphene-Derived Reinforced Polymer Composites for Self-Healing and Durability Enhancement in Concrete Structures
Abstract: This study presents a matrix-centric polymer-composite repair binder: an epoxy–polyamide network reinforced with graphene derivatives (GO/rGO, 0.1–1.0 wt%). The polymer drives function via segmental mobility that closes microcracks, while 2D-filler topology densifies the interphase, improves load transfer, and enforces tortuous moisture pathways. Adhesion was high: pull-off (ASTM D4541) reached 13.5 MPa at 2.0 mm displacement; slant-shear (ASTM C882) reached 12.1 MPa at 2.8 mm, with greater deformation capacity (zero stress …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 77–91 Read article
-
Marine Algal Microfiber and Agro-Waste Reinforced Crosslinked Polymer Composites for Sustainable Coastal Materials
Abstract: Crosslinked bio-polymer composites reinforced with marine algal microfibers and agro-waste fillers were fabricated and systematically characterized for sustainable coastal applications. Mechanical testing revealed that tensile strength increased from 18.5 MPa for neat polymer to 25.1 MPa at 20 wt.% reinforcement (~35% improvement), while the flexural modulus improved from 0.72 GPa to 1.02 GPa (~42% increase). Impact strength, however, decreased from 3.8 kJ/m² for neat polymer to 2.9 kJ/m² at 30 …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 210–223 Read article
-
Comparative Analysis of Tensile Properties of Virgin and Rice Husk-Reinforced PLA and ABS Filaments
Abstract: This study focuses on evaluating the tensile behavior of polylactic acid (PLA) and acrylonitrile butadiene styrene (ABS) filaments reinforced with rice husk ash (RHA) particles, in comparison with their respective virgin counterparts. The incorporation of RHA, an abundant agricultural waste by-product, was considered with the objective of developing eco-friendly composites suitable for additive manufacturing applications. Tensile testing was carried out to assess the influence of the reinforcement on the mechanical …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 224–229 Read article
-
Performance Evaluation of High-Performance Fiber Reinforced Concrete Incorporating Fly Ash, Coir Husk Ash, and Hybrid Fibers
Abstract: High-Performance Fiber-Reinforced Concrete (HPFRC) is an advanced composite material designed to improve the mechanical properties and durability of conventional concrete. This study investigates the effects of fly ash (FA), coir pith ash (CPA), and various fiber reinforcements (polypropylene, coir, and kenaf) on the compressive strength of HPFRC. The research evaluates the influence of natural admixtures, single fiber additions, and hybrid fiber combinations to optimize mix proportions for enhanced structural performance. …
Published in Journal of Structural Engineering and Management · Vol. 12, Issue 2, 2025 · pp. 10–15 Read article
-
Physics, Metaphysics, and the Subtle Sciences: A Dialogue between Indigenous Worldviews and Microvita Theory
Abstract: This paper explores the convergence of physics, metaphysics, and subtle sciences through a comparative analysis of indigenous knowledge systems and P.R. Sarkar’s Microvita Theory. Indigenous worldviews across various cultures articulate a holistic understanding of reality in which consciousness, matter, and life processes are deeply interconnected. These frameworks increasingly resonate with developments in quantum physics and systems theory that challenge classical mechanistic paradigms. Microvita Theory, introduced by P.R. Sarkar, posits the …
Published in Research & Reviews : Journal of Physics · Vol. 15, Issue 1, 2026 · pp. 1–13 Read article
-
Innovative Polymer Nanocomposites: Bridging Sustainability and Advanced Material Performance
Abstract: This study examines the evolution of bio-based polymer nanocomposites using eco-friendly synthesis methods to improve mechanical, thermal, and barrier properties. It involves the combination of sustainable synthetic polymers with natural polymers in the presence of nanofillers in a green and compatible fashion to generate durable nanocomposites. Optimal alignment of nanofillers with the polymer matrices can be achieved using solvent casting, melt blending, and in-situ polymerization as fabrication methods. Consequently, the …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1671–1679 Read article
-
High Efficiency Linear Motion Using Sequential Coil Electromagnetic Propulsion Train
Abstract: The Electromagnetic Propulsion Train project efforts on developing a model that proves linear motion using exactly controlled electromagnetic forces. Dissimilar conventional railway systems that depend on mechanical drives, traction motors, and wheel–rail friction, this model uses a coordinated arrangement of electromagnets positioned along the track to generate attractive and repulsive forces, which together produce the essential propulsion. This method reduces dependence on mechanical movement and highlights the possible of magnetic …
Published in Trends in Mechanical Engineering & Technology · Vol. 15, Issue 3, 2025 · pp. 32–39 Read article
-
Photochemical Materials for Light-responsive Optical Switching: AI-optimized Design of Dynamic Visual Effects
Abstract: This paper presents an in-depth investigation into the design and behavior of photochemical materials that generate optical illusions and dynamic visual effects through light-induced molecular transformations. The study focuses on advanced photoresponsive compounds such as azobenzene and spiropyran derivatives, emphasizing their reversible optical transitions governed by photoisomerization, phase transitions, and photochromism in solid-state and polymeric matrices. Spectroscopic and kinetic analyses are employed to evaluate the influence of light wavelength, material …
Published in International Journal of Photochemistry and Photochemical Research · Vol. 3, Issue 2, 2025 · pp. 13–27 Read article
-
The Effect of Rare Earth (RE) Metal Doping of Zno, On Magnetic and Optical Properties of Zno Crystals Structure
Abstract: The magnetic and optical properties of magnetic semiconductors relays on the crystal structure, type and amount of dopant ions, and particle size. Then, the effect of rare earth metal (Dy, Eu, and La) doping on crystal structures, magnetic properties and optical properties are seen. It is revealed that the optical band gap of ZnO decrease down from 3.37eV up on doping with RE metals. Then, the Hamiltonian of the system …
Published in International Journal of Crystalline Materials · Vol. 2, Issue 2, 2025 · pp. 28–40 Read article
-
Numerical Investigation of AA5053 Through Equal Channel Angular Pressing Technique: An Overview
Abstract: Equal channel angular pressing is recognized as the predominant method for bulk severe plastic deformation processing and has been employed for refining the grain structure in numerous metals and alloys. This study utilized finite element analysis to examine the processing of metallic billets through simple shear deformation. For the study, the die channel angle was chosen based on achieving the minimum energy consumption to induce maximum uniform strain. Among the …
Published in Trends in Machine design · Vol. 12, Issue 3, 2025 · pp. 40–47 Read article
-
Structure–Property Relationships in Poly (N isopropylacrylamide) Hydrogels: Toward Thermoresponsive Polymer Composites
Abstract: Poly(N-isopropylacrylamide) (PNIPAAm) hydrogels can shift from solid to gel and back again at body temperature. Due to their lack structural integrity, thermal stability, and mechanical strength, they are difficult to use. This study mixed PNIPAAm with biocompatible fillers like chitosan and silicon nanoparticles to create hydrogels with superior structure-property correlations. Free radical polymerization with ammonium persulfate/TEMED initiator and N,N′-methylenebisacrylamide crosslinker produced the composites. Scanning electron microscopy showed a denser, interconnected …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 884–895 Read article
-
Machine Learning for Finding Materials for Membranes
Abstract: Traditionally, finding and improving membrane materials has depended on trial-and-error experiments, which can take a long time, cost a lot of money, and only cover a small area. Recent improvements in machine learning (ML) have the potential to change the way membrane materials are designed by making it possible to make predictions about performance, selectivity, and stability based on data. ML algorithms can find hidden links between the structure, composition, …
Published in International Journal of Membranes · Vol. 3, Issue 1, 2026 · pp. 1–7 Read article