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238 articles for “Structure–property modeling”
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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
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Computational Study of Sombor Index on Generalized Abid–Waheed Graphs for Polymer Modeling
Abstract: This study investigates the topological properties of generalized Abid Waheed graphs. Development of theoretical models in chemistry, reducing computational complexity while analysing large molecules or networks Abid Waheed graphs play a significant role. Motivated by these findings, the research was extended to encompass generalized Abid Waheed graphs, characterized by r cycles of order s. A notable similarity between Abid Waheed graphs and Jahangir graphs was observed. The potential applications of …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 267–274 Read article
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Study of Perovskite (CH3NH3PbI3) Solar Cell using CuI (Copper Iodide) as Hole Transport Layer (HTL) at different thickness of HTL layer
Abstract: While solar energy is a viable option, future clean energy solutions may require other energy sources. Renewable electricity sources are known for being affordable, easy to access, and not producing greenhouse gases. Photovoltaic cells, which turn sunlight into electrical power, are a good choice. Over the last twenty years, advancements in photovoltaic technology have lowered costs and improved the efficiency of solar cells. Perovskite materials, recognized for their unique crystal …
Published in Journal of Power Electronics and Power Systems · Vol. 14, Issue 2, 2024 · pp. 1–11 Read article
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Artificial Intelligence-Assisted Multi-Objective Optimization of Agricultural Biomass-Reinforced Polymer Composites
Abstract: Agricultural biomass can reduce the environmental burden of polymer composites, yet its heterogeneous structure creates competing effects on strength, moisture resistance, density, and process ability. This study developed an artificial intelligence-assisted framework for balanced composite formulation. Experimental data of agricultural biomass reinforced polymer composites were gathered, harmonized and validated using leakage-controlled validation. The mechanical and physical properties were predicted by artificial neural networks and conventional regression models. Explainable analysis gave …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 · pp. 202–222 Read article
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Feasibility Study of Thermoplastic nanocomposites for ESD Applications Using Additive manufacturing
Abstract: This research aims at developing a polyamide 6 nanocomposite with good combination of electrical resistivity and structural integrity that can be utilized for electrostatic discharge applications. Polyamide 6 modified with 3wt%, 5wt% and 7wt% graphene nanoplatelets (NGP) were melt blended using a co-rotating twin screw extruder and filaments of size 1.75mm were obtained. The specimens were printed using fused deposition modelling technique according to standards for electrical resistivity and tensile …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 24, Issue 1, 2022 · pp. 46–55 Read article
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Marshall-Olkin Exponential Power Distribution and Applications
Abstract: We introduce a new distribution namely Marshall-Olkin Exponential Power Distribution and its properties were studied. The problem of estimation of parameters was considered and validated with respect to a real data on failure times. The stress-strength reliability analysis was also carried out. Average mean square error, Average confidence length, Coverage probability etc. were computed using simulated data. Using the proposed model we developed autoregressive processes with minification structure. Keywords: Marshall-Olkin …
Published in Research & Reviews : Journal of Statistics · Vol. 6, Issue 3, 2017 · pp. 22–33 Read article
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Dielectric Elastomers in Actuation and Energy Applications: Material Behavior and Design Strategies
Abstract: Dielectric elastomers (DEs), a class of electroactive polymers, have attracted significant attention for their ability to undergo large, reversible deformations under electric stimulation. This unique capability makes them highly suitable for a range of actuation and energy harvesting applications, especially in the emerging fields of soft robotics, flexible electronics, artificial muscles, and sustainable power generation systems. DEs offer compelling advantages such as low weight, mechanical flexibility, high energy density, and …
Published in International Journal of Electro-Mechanics and Material Behaviour · Vol. 3, Issue 1, 2025 · pp. 13–18 Read article
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Doping of Cerium, Boron and Sulphur with ZnO Nanoparticles and their Impact on Lattice Parameters, Studied through UDM Model
Abstract: Un-doped and tri-doped ZnO nanoparticles were successfully synthesized by the simple sol-gel method. Tri-doped nanoparticles of ZnO were prepared by using Ce, B and S as a dopant in concentrations of 1, 2 and 4 wt% with respect to ZnO. The effect of Ce, B and S on the ZnO nanoparticles was investigated by using X-ray diffraction (XRD), transmission electron microscopy (TEM) and Fourier transform infrared (FTIR) techniques against particles …
Published in Emerging Trends in Chemical Engineering · Vol. 4, Issue 1, 2017 · pp. 21–28 Read article
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3D-QSAR Studies, Molecular Docking and Adme Property Prediction of Mannosyl Triazoles Used as Potent Antiadhesives of Uropathogenic E. coli
Abstract: Urinary tract infections (UTIs) are among the most common infectious diseases, accounting for almost five million cases annually and causing considerable morbidity and mortality. Escherichia coli is a commensal inhabitant of the mammalian large intestine and the most common cause of UTIs in humans. Increasing incidence of antibiotic-resistant E. coli causing up to 95% of these infections, calls for additional therapeutic considerations. In this study, 3D-quantitative structure-activity relationship (3D-QSAR) analysis …
Published in Research and Reviews : A Journal of Biotechnology · Vol. 6, Issue 1, 2016 · pp. 26–33 Read article
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A Systematic Review of Advanced Composite Materials for High-Performance Spur Gear Applications
Abstract: This is a review which provides specific and detailed information regarding the fiber-reinforced polymer (FRP) composite to replace traditional steel in high-performance spur gears with emphasis on mechanical performance, computational modeling, and experimental validation. Methods: The current literature was thoroughly investigated that includes material properties, material simulation (e.g., finite element analysis, FEA), and experimental gear testing procedures (e.g., DIN 51354, ASTM G99). Certain case studies in the aerospace and automotive …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 209–220 Read article
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A Comprehensive Analysis of Aloe Vera Gel Processing and Its Antidiabetic Properties: A 3D Computational Biology Perspective"
Abstract: This expansive review paper delves into the intricate realm of Aloe vera gel processing and its potential antidiabetic properties, augmented through the lens of 3D computational biology. The review amalgamates insights from various references to elucidate the handling, harvesting, and juice extraction of Aloe vera gel. Additionally, it explores diverse products derived from Aloe vera, such as Aloe juice, Aloe health drink, and Aloe dessert, providing an extensive understanding of …
Published in Research & Reviews: A Journal of Bioinformatics · Vol. 10, Issue 2, 2023 · pp. 18–21 Read article
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Comparative Vibrational Analysis of Foot Over Bridge for Different Deck Properties
Abstract: Damping performs essential function in format of vibrational resistant structures, which lower the change of the shape when they are subjected to lateral loads or vibrational load. In the existing study the deck of bridge is check for various materials like MS steel plate, RCC slab, and aluminum and MS plate composite deck. The important challenge of a structure is to endure the vibrational loads on deck slab. In order …
Published in Journal of Structural Engineering and Management · Vol. 8, Issue 1, 2021 · pp. 24–31 Read article
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Enhancement of Horizontal Jet Impingement Heat Transfer Analysis on Vertical Flat Plate
Abstract: This research investigates the heat transfer characteristics and heat flux distribution associated with parallel jet impingement on a vertical flat plate. A comprehensive computational fluid dynamics (CFD) analysis is carried out and systematically validated against available experimental data to ensure the accuracy and reliability of the numerical model. The jet length is maintained constant at 12 mm, while the jet-to-plate separation distance is varied at 6, 12, 18, and 24 …
Published in Journal of Experimental & Applied Mechanics · Vol. 17, Issue 1, 2026 · pp. 65–80 Read article
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POLYMER AND COMPOSITE-BASED GEOSYNTHETIC REINFORCEMENTS FOR SEISMIC STABILITY OF SOIL RETAINING STRUCTURES: MATERIALS, MECHANICS, AND PERFORMANCE REVIEW
Abstract: Geosynthetic materials based on polymer and composites have become important items for the structural performance and seismic resilience of the reinforced soil retaining systems. Mechanically stabilized earth walls in recent geotechnical engineering practice are increasingly based on enhanced polymeric reinforcements for enhanced tensile strength, durability, flexibility, and energy dissipation under dynamic loading. High-density polyethylene, polypropylene, polyester, and fiber-reinforced polymer composites are usually used. The present review focus on the recent …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Crystal Defects and Their Characterization in Modern Materials Science
Abstract: The physical and chemical properties of crystalline solids are fundamentally dictated by deviations from structural perfection, known as crystal defects. From the point-scale vacancies that drive diffusion to the planar boundaries that determine mechanical strength, defects serve as the primary "tuning knobs" in material design. This review provides a comprehensive examination of point, line, and planar defects, exploring their formation energetics and their role in plastic deformation via crystallographic slip. …
Published in International Journal of Crystalline Materials · Vol. 3, Issue 1, 2026 · pp. 15–19 Read article
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Predicting the Physical Property of Asphaltene Molecule using Fuzzy System
Abstract: Asphaltenes — the heaviest and most aromatic compounds of crude oil— have a strong tendency to aggregate in solution to form complex colloidal structures. They generally impede producing, transporting and refining of crude oil resources. An indepth knowledge of the physical behavior of asphaltenes is needed to mitigate these effects. Predicting the physical behavior of asphaltene such as density is complex and nonlinear as it is a complex molecular mixture …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 5, Issue 3, 2014 · pp. 1–9 Read article
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Engineering Polymer Innovations for Improved Battery Safety and Vehicle Efficiency: A Comprehensive Review
Abstract: Electric vehicles (EVs) are high-power systems that require high-quality materials to ensure safety, reliability, and performance under extreme operating conditions. Polymer materials have become critical engineering materials in meeting these requirements due to their lightweight nature, design flexibility, durability, and high electrical insulation capability. Consequently, polymers are widely used in key EV components, including battery enclosures, module frames, thermal interface materials, wiring insulation, and lightweight structural parts.Recent developments in polymer …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 500–512 Read article
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Study about Important on why the Phenomenon of Light Propagation in Microstructure on Anisotropy is Important
Abstract: Here we want to explain the phenomenon of light propagation in a subtle structure the information of which is shown here. So here we investigated the phenomenon dependence of light diffusion in human dentin on microstructure. The main scatter tubes are found in the dentin, which can be estimated to be shaped like long cylinders. So here we calculated the scattering of electromagnetic waves through an infinitely long cylinder and …
Published in Research & Reviews : Journal of Physics · Vol. 10, Issue 4, 2021 · pp. 15–21 Read article
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Drilling of Composite Materials: A Review
Abstract: In today’s world composites are replacing metals due to their superior properties such as light weight; low wear rate etc. Composites are widely used in automobile, aerospace and aircraft structural components. While drilling composite laminates, because of high hardness, they are difficult to machine, which results in low drilling efficiency and undesirable drilling induced delamination. The present paper is intended to focus on review of various works reported on drilling …
Published in Journal of Materials & Metallurgical Engineering · Vol. 5, Issue 2, 2015 · pp. 1–10 Read article
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A Study on The Impact of Artificial Intelligence in Pharmaceuticals
Abstract: The main goal of artificial intelligence (AI) is to create intelligent modeling, which facilitates knowledge imagination, problem-solving, and decision-making. AI is becoming more and more significant in several pharmacy domains, including polypharmacology, hospital pharmacy, drug discovery, and drug delivery formulation development. Various types of artificial neural networks (ANNs), including deep neural networks (DNNs) and recurrent neural networks (RNNs), are utilized in the development of drug delivery formulations and in drug …
Published in Research & Reviews: A Journal of Drug Design & Discovery · Vol. 12, Issue 1, 2025 · pp. 24–32 Read article