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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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Enhancement of Mechanical Properties in Hemp Fiber-Reinforced Epoxy Composites Using Graphene Nanoplatelets
Abstract: This study investigates how incorporating graphene nanoplatelets (GNPs) influences the mechanical performance of hemp fiber–reinforced epoxy composites. Hemp fibers were chemically treated by alkali treatment to improve fiber–matrix adhesion owing to their high specific strength, stiffness, renewability, and environmental friendliness. Graphene nanoplatelets were dispersed in acetone by probe sonication and added to acetone epoxy matrix at a concentration of 0.5 wt% and 1.0 wt%, respectively. Composite laminates were prepared by …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 98–109 Read article
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Mechanical Performance and Material Properties of Nsm CFRP Polymer System
Abstract: Near-surface mounting systems are an advanced embedded technique application of CFRP composites in which the efficiency of the structure is mostly dominated by polymer matrix properties and interface stress transfer mechanisms. This review presents a holistic materials-based perspective on the experiment, analytical, and numerical studies conducted on the NSM-CFRP composite system, specifically on the behavior of the epoxy adhesive, interfacial behavior of composite–substrate system, and related structure–property relationships. The literature …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 311–319 Read article
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Mechanical & Tribological Characterization of Al2024-Alumina-Graphite Reinforced Monolithic and Hybrid Composites
Abstract: This work investigates the mechanical characteristics of Al2024-Al2O3-Graphite reinforced monolithic and hybrid composites fabricated by the stir casting method. Exploratory work involved the fabrication of monolithic composites with varying Al2O3 contents (5-8 wt%) and hybrid composites with the ratios of Al2O3 (2-6 wt%) and Graphite (1-3 wt%) in matrix Al2024. For improving their dispersion, preheated reinforcement particles were introduced in matrix alloy at controlled stirring rates. A homogeneous particle distribution …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 823–836 Read article
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Mechanical and Sustainable Enhancement of Epoxy Composites using Tamarind Seed Powder
Abstract: The investigation examines how tamarind seed powder affects epoxy-based materials for the development of waste-based useful products. The research examines the mechanical behavior of epoxy resin composites which contain tamarind seed powder in increasing percentages spanning from 10% to 40%. The team utilized the hand layup method to produce the composites which then fulfilled the ASTM guidelines for specimen fabrication for mechanical tests. The study examined fundamental mechanical parameters by …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 797–806 Read article
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Design and Analysis of Quantum Dot Solar Cell Using SCAPS-1D Software
Abstract: Compared to conventional solar cells, quantum dot solar cells (QDSCs) have drawn a lot of attention due to their hybrid structure, low production cost, and greater power conversion efficiency. Nevertheless, carrier recombination in the quasi-neutral region (QNR) continues to limit their performance. The electron transport layer (ETL) and hole transport layer (HTL) are two of the layers that are most important in determining the overall efficiency of the device. The …
Published in Journal of Alternate Energy Sources & Technologies · Vol. 17, Issue 1, 2026 · pp. 15–20 Read article
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An Overview on Quantum dot technology in Temperature sensor design
Abstract: Quantumdot (QD) thermometry harnesses the sizedependent electronic structure of semiconductor nanocrystals to translate minute temperature variations into robust optical signals. In this work we present a systematic design framework for QDbased temperature sensors that integrates (i) bandgap engineering through precise colloidal synthesis, (ii) surfacestate passivation to suppress nonradiative pathways, and (iii) a planar photonicreadout architecture compatible with lowcost, CMOSfriendly fabrication. By exploiting the linear redshift of the photoluminescence (PL) peak …
Published in Journal of Electronic Design Technology · Vol. 17, Issue 1, 2026 · pp. 10–17 Read article
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Improvement of Geometric Tolerances and Mechanical Properties of Aluminum Hybrid Metal Matrix Composites
Abstract: In the field of metal matrix composite materials, there has been a generous thrust towards the development of electrical discharge machining (EDM). In this study, stir casted aluminum hybrid metal matrix composites were successfully machined using EDM by analyzing the input process parameters namely, pulse-on time, peak current, and gap voltage using L27 orthogonal array. The ideal conditions for various output responses such as material removal rate, circularity, and radial …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 1583–1592 Read article
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Smart Contract: A new buzz word for reliable decentralized network
Abstract: Blockchain technology has emerged as a foundational distributed-ledger architecture enabling decentralized, transparent, and tamper-resistant data management across diverse digital ecosystems. This paper presents an integrated review of blockchain fundamentals, consensus mechanisms, smart contract design, and real-world applications beyond cryptocurrencies. It discusses the evolution of smart contracts as automated, self-executing programs that remove intermediaries and ensure deterministic execution, while highlighting critical security vulnerabilities such as reentrancy, arithmetic overflows, and improper access …
Published in Journal of Open Source Developments · Vol. 13, Issue 1, 2026 Read article
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Predicting Dielectric Constants of Polymers Using Molecular Structural Descriptors and Explainable Machine Learning: A Data-Driven Approach
Abstract: Accurate prediction of dielectric constants in polymeric materials is fundamental to the rational design of advanced electronic components, energy storage capacitors, flexible substrates, and high-frequency communication circuits. Conventional approaches to identifying suitable polymer dielectrics rely on extensive experimental synthesis and characterisation, which are both time-consuming and resource-intensive. In this work, an explainable machine learning framework is developed to predict the dielectric constant of polymers directly from molecular structural descriptors derived …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 297–304 Read article
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Comparison & Improvement in Channel Estimation Techniques for Next Generation Network Using mm wave OFDM Channel
Abstract: This paper develops schemes for orthogonal matching pursuit (OMP), bayesian Cramer Rao Bound & ORACLE-LS channel estimation technique in milli-meter wave (mm-Wave) multiple-input-multipleoutput (MIMO) systems that exploit the spatial sparsity inherent in channels. In simulation results shows comparison between ORACLE LS & orthogonal matching pursuit (OMP) on the basis of NMSE v/s SNR comparison between orthogonal matching pursuit OMP, MSBL, and TSBL-based & various channel estimation techniques for the mm-Wave …
Published in Journal of Telecommunication, Switching Systems and Networks Read article
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Design of Secure Biometric-based Access Mechanism for Cloud Services
Abstract: In our data-driven society, the demand for remote information storage and computation services is increasing exponentially, as is the need for secure access to such information and services. during this project, we have a tendency to style a replacement biometric-based authentication protocol to produce secure access to an overseas (cloud) server. Within the planned approach, we have a tendency to think about biometric information of a user as a secret …
Published in Journal of Experimental & Applied Mechanics Read article
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Phase Behaviour Study of a Mesogen in a Solvent Role of Molecular Rigidity and Configurational Entropy
Abstract: The phase behaviour of a nematogen 4’-n-pentyloxy-4-biphenylcarbonitrile (POBPCB) has been studied with respect to the translational and orientational motions. The charges of atoms and their dipole moments have been estimated by implementing the complete neglect differential overlap (CNDO/2) method. The long-range interactions have been analyzed using modified Rayleigh- Schrodinger Perturbation theory together with the multicentred-multipole expansion scheme. The “6- exp” potential function has been considered to study the short-range interactions. …
Published in Research & Reviews : Journal of Physics Read article
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Molecular Docking Evaluation of Cedrus deodara Secondary Metabolites as a Potent Anti-ovarian Cancer Agent
Abstract: Objective: According to the statistics for the year 2022 it was seen that cancer total cases is 14,61,427. After breast cancer, ovarian cancer is the second most frequent cancer among women. The estrogen receptor (PDB ID: 1X7E), progesterone receptor (PDB ID: 1A28), and Phosphoinositide 3-kinases (PDB ID: 4FJY) can be considered as target protein for ovarian cancer. The plant Cedrus deodara and its phytochemicals were chosen in this study to …
Published in International Journal of Molecular Biotechnological Research · Vol. 1, Issue 1, 2023 · pp. 77–93 Read article
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Uncovering the Comparative Efficacy of Antiviral Drugs and Caricapapaya Phytocompound as VP2H inhibitors in Ebola virus: An Insilico Molecular Docking Analysis
Abstract: The Ebola virus is a fatal disease that transmits from wild animals to humans. Infected individuals' body fluids such as spit, blood, perspiration, faeces, blood, saliva, breast milk, sperm, or fomites can transmit Ebola. Adhesion to cell membranes and penetration into the host organism are essential aspects in viral growth. The presence of VP24, as well as nucleoproteins and structural proteins, is necessary for nucleocapsid formation and integration. The inhibition …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 1, Issue 2, 2023 · pp. 62–78 Read article
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Mechanical Properties Investigation of Green Waste Composite Material
Abstract: Widespread accessibility and abundance of natural fibres are driving forces behind renewed focus on eco-friendly solutions. Researchers have recently begun to focus on natural fibres as reinforcement due to their many advantages over more conventional materials. Natural fibre is an attractive ecological and biodegradable alternative to most common glass fibre, synthetic reinforcement, because of its high specific and low cost mechanical capabilities. India is home to a wealth of untapped …
Published in Journal of Polymer & Composites · Vol. 11, Issue 4, 2023 · pp. 28–36 Read article
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Effect of WEDM Machining Parameter on the MMC: A Review
Abstract: Recent area of manufacturing is highly focus on good accuracy and a complex shapes are mechanized by the advanced machining operation. The wire electrical discharge machining (WEDM) have the ability to produce the complex shapes with having high accuracy. The WEDM is non-contact type machining operation and is used for metal materials as well as Metal Matrix Composites (MMCs), ceramics composites those have many application in vast areas such as …
Published in International Journal of Fracture Mechanics and Damage Science · Vol. 1, Issue 1, 2023 · pp. 1–7 Read article
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Exploration of Mechanical Characteristics and Microstructural Analysis of Copper Matrix Composites with Hybrid Reinforcements via Muffle Furnace Sintering
Abstract: Metal Matrix Composites (MMCs) have drawn a lot of interest in the area of innovative materials because of how widely they may be used. Due to their extraordinary qualities, such as high thermal conductivity, higher temperature endurance, improved corrosion resistance, and great weldability, copper matrix composites stand out among them. These qualities make them desirable and promising materials for uses including heat exchangers, automotive parts, and electrical components. In this …
Published in Journal of Polymer & Composites · Vol. 11, Issue 12, 2023 · pp. 119–126 Read article
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Mechanical Characterization of Adhesive in Lap Joint Under Tensile Load
Abstract: The present work gives details of adhesive characterization in lap joints under quasi static tensile failure load. Rivets are major threat for an aircraft structure because of high stress concentration at lesser area ease to failure and also causes drag in aerodynamic perspective. Researchers are searching for a different method to avoid the stress concentrations in lesser area. The use of adhesives instead of rivets is most feasible solution for …
Published in Journal of Polymer & Composites · Vol. 11, Issue 13, 2023 · pp. 96–103 Read article
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Impact of Tool rotating speeds on the Mechanical characteristics of dissimilar friction stir-welded AZ80A-Mg – AA6061-Al joints
Abstract: In this investigation, separate AA6061-Al and AZ80A-Mg alloy plates were effectively joined through stir welding with friction. We looked closely at the weld joints' characteristics, especially their mechanical aspects. In the experiment, here were multiple tool rotating rates (rpm) of 800, 1000, 1200, 1400, and 1600 used. A cylindrical pin-equipped tool featuring a tapered profile was utilized, inserted into the AA6061 alloy plate is offset by 0.5 mm, while maintaining …
Published in Journal of Polymer & Composites · Vol. 12, Issue 1, 2024 · pp. 161–168 Read article
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Remote Control Cars: A Study on Design, Mechanics, and User Experience
Abstract: The number of people who like driving remote-control cars has skyrocketed over time, and many of them are searching for high-performance cars that will give them thrilling experiences. Using a nitro-powered engine, the Nitro Remote Control Car Design and Fabrication project aims to develop a cutting-edge, powerful remote-controlled car with exhilarating performance and speed. The remote control car is designed to provide better customer experience and works well. Thanks to …
Published in Journal of Microelectronics and Solid State Devices · Vol. 11, Issue 1, 2024 · pp. 25–31 Read article