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43 articles for “structure–property correlation”
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Structure–Optical Property Correlation of Co-Doped TiO₂ and ZnO Nanofillers for Advanced Functional Composite Applications
Abstract: This study investigates the enhancement of the structural and optical properties of titanium dioxide (TiO₂) and zinc oxide (ZnO) nanoparticles through cobalt (Co) doping. Pristine TiO₂ and ZnO are widely studied metal oxides; however, their large band gaps and limited visible-light absorption restrict their performance in optoelectronic, photocatalytic, and environmental applications. Co doping is employed as an effective strategy to overcome these limitations by inducing band-gap narrowing, creating defect-related electronic …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 1374–1394 Read article
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Structure Property Correlation of Polymer Dielectrics Using Electrical Response Data
Abstract: Polymer dielectrics are foundational to insulation, capacitors, embedded passives, and flexible electronics, where performance is governed by the frequency-dependent electrical response rather than a single dielectric constant. This study presents a spectroscopy-aware structure–property correlation framework that transforms dielectric response data into physically interpretable spectral fingerprints and learns mappings from polymer descriptors to these fingerprints for prediction and interpretation. Broadband spectra are standardized on a log-frequency grid and parameterized using relaxation-informed …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 315–324 Read article
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Structure-Property Correlation in PTT/PP Blends with Improved Mechanical Performance
Abstract: The present work investigates a series of poly (trimethylene terephthalate) (PTT)/polypropylene (PP) blends prepared with varying PP concentrations in order to improve the overall performance of PTT, particularly with respect to mechanical properties and processability. PTT is a promising engineering thermoplastic owing to its balanced stiffness, resilience, and chemical resistance; however, its relatively high cost and processing limitations often restrict its wider application. In this context, blending with PP offers …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 90–98 Read article
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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
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Experimental and Process Optimization Study on Thermal Stress Reduction in TiC–Steel Brazed Joints Using Polymer-Derived Composite Interlayers
Abstract: In this, an experimental investigation aimed at reducing crack formation due to thermal stress in TiC-steel brazed joints through optimization of key process parameters is presented. The primary objective was to develop an integrated and reliable brazing strategy by examining the effects of filler material selection, brazing gap, cooling conditions and type of flux. In this study, polymer-derived composite interlayers were developed through controlled synthesis and nanocomposite engineering to mitigate …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 524–540 Read article
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Investigation of the Thermoelectric, Electronic Band Profile, and Structural Properties of Skutterudites Based on Cobalt and Antimony
Abstract: We investigated ThCo4Sb12, an actinium-filled skutterudite, from the ground up for structural, electronic, and thermoelectric properties. A generalized gradient approximation and modified BeckeJohnson potentials were used to calculate the exchange-correlation potential. The compound is shown to have metallic properties in the electronic structure calculations. Actinium series element is used as a void filler in this study. The Seebeck coefficient and electrical conductivity can be calculated using Boltzmann's transport theory. According …
Published in Journal of Structural Engineering and Management · Vol. 11, Issue 2, 2024 · pp. 13–19 Read article
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A Comparative Study of the Structure-Property Relationships in CAD/CAM Milled vs. 3D-Printed High-Performance Polymers: Impact of Molecular Orientation on Abrasive Wear
Abstract: Background: The transition from subtractive to additive manufacturing in prosthetic dentistry has introduced significant variations in the macromolecular architecture of high-performance polymers. While CAD/CAM milling utilizes high-density, industrially polymerized blocks, 3D printing (Additive Manufacturing) relies on layer-by-layer deposition, which may induce anisotropic molecular orientation. This retrospective study investigates how these distinct manufacturing "thermal histories" influence the long-term abrasive wear resistance of PEEK and PEKK restorations.Materials and Methods: Data were retrospectively …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Graph Theoretic Analysis of Cyclodextrin Polymers
Abstract: Topological indicators in chemical graph theory are essential tools in cheminformatics, providing valuable insights into molecular structure and properties to make more accurate predictions about the behavior and efficacy of novel compounds in drug design. The macro molecules are correlated with certain derivatives. The derivatives are growing structures which depends on the cyclic structures. The Cyclodextrin is one of the cyclic structures which depends on the carbon atoms. The polymer …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 997–1006 Read article
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Machine Learning Based Optimization of Polymer Structure Property Relationships in Composite Material Systems
Abstract: In modern engineering applications, polymer-based composite materials have garnered a lot of attention because of their lightweight nature, high strength-to-weight ratio, and changing physical features. In order to maximize the relationships between polymer structure and properties in composite materials, this study suggests a strategy based on reinforcement learning (RL). The research utilized the Polymer Composite Properties Dataset, which contains 12,700 records associated with polymer matrices, reinforcement fillers, interfacial bonding characteristics, …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 242–255 Read article
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ML-Based Predictive Modeling of Mechanical Properties in 3D-Printed Polymer Composites for IoT Applications
Abstract: This study aims to develop an interpretable and high-accuracy machine learning framework for predicting the mechanical properties of 3D-printed fiber-reinforced polymer composites, with a focus on structure–property correlations relevant to polymer processing and functional performance. Composite specimens based on PLA and ABS matrices were fabricated using FDM with varying weight fractions (5–20 wt%) of carbon and glass fibers. Standardized mechanical testing (ASTM D638, D256, D790) was performed to evaluate tensile …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 61–78 Read article
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Characterization of Thermochemical Properties and Combustion Behavior In AP/HTPB Polymer Composite Solid Propellant for Enhanced Performance
Abstract: The thermal decomposition of solid propellants containing hydroxyl-terminated polybutadiene (HTPB) binder is a complex process, driven by multiple interacting chemical and physical factors. Solid propellant combustion characteristics are profoundly influenced by the composition of the propellant, the conditions of pressure, the starting temperature, and a range of aero-thermochemical parameters. The paper explores the influence of polymeric structure in the HTPB binder on thermal decomposition characteristics of the AP/HTPB composite propellants …
Published in Journal of Polymer & Composites · Vol. 13, Issue 3, 2025 · pp. 502–511 Read article
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Image-Based Quantitative Mapping of Structure Property Relationships in Polymer Composite Materials
Abstract: The performance of polymer composite materials is intrinsically governed by their microstructural architecture, which is shaped by manufacturing conditions and constituent interactions. Despite extensive experimental characterization efforts, establishing transparent and quantitative structure–property relationships from microstructural images remains a challenge. In this study, an explainable image-driven framework is developed to systematically correlate microstructural features with composite property indicators. Microstructure images are processed to identify voids, fibers, and filler phases, from which …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 188–196 Read article
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Biopolymer Degradation and Structure–Property Relationships in Ageing: A Polymer Science Perspective
Abstract: Ageing, as viewed from the polymer sciences perspective, is perceived as the gradual modification of the structure-property-function interrelationship of biopolymers such as proteins, polysaccharides, nucleic acids and their molecular aggregates. Such changes include structural organization, mechanical behavior, physicochemical stability and functional effectiveness. Ageing is an inevitable multifactorial polymeric process. Due to the growing aging population globally, more age-associated complications emerge, which are correlated with the molecular degeneration of biopolymeric complexes. …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 479–489 Read article
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Equivalence Patterns in Racing: Examining Findings and Fixed-point Theorems in S-multiplicative Metric Space Integration
Abstract: The idea of equivalency patterns in racing is discussed in the abstract, along with research results and fixed-point theorems in relation to S-multiplicative metric space integration. Being a competitive activity, racing provides a rich environment for researching equivalency trends between rival enterprises. This article examines the dynamics of racing scenarios by exploring the mathematical structure of S-multiplicative metric spaces. The goal of this research is to identify fundamental properties and …
Published in Journal of Advanced Database Management & Systems · Vol. 11, Issue 2, 2024 · pp. 36–42 Read article
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DFT/Data Guided Predictive Modelling of Absorption Maxima in the OLED Rubrene Derivatives
Abstract: This study investigates the optical properties of rubrene derivatives to develop an accurate predictive model for absorption maxima using computational chemistry and chemoinformatic techniques. We benchmarked various quantum chemical methods, identifying that the M06-2X/aug-cc-pVDZ method in dichloromethane (DCM) provided the strongest correlation with experimental data. Key molecular descriptors such as band gap, ionization potential, and electrophilicity index were calculated and analyzed using principal component analysis (PCA) to identify significant factors …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 41–56 Read article
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Density Functional Theory (DFT): Understanding and Quantifying Molecular Structure of 2-D Materials
Abstract: Density Functional Theory (DFT) has emerged as a cornerstone in computational chemistry and materials science, offering a powerful framework for predicting electronic structures and properties of atoms, molecules, and solids. By focusing on electron density rather than wave functions, DFT simplifies the many-body problem through approximations like the local density approximation (LDA) and generalized-gradient approximations (GGAs). The Hohenberg-Kohn theorems establish the theoretical foundation, proving that ground-state properties are uniquely determined …
Published in Journal of Microelectronics and Solid State Devices · Vol. 12, Issue 2, 2025 · pp. 33–40 Read article
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Deep Cryogenic Treatment of Copper Chill Plates in Stir Casting of Al6061-Silicon Carbide Composites
Abstract: Aluminum-Silicon Carbide Metal Matrix Composites (Al/SiC MMCs) represent advanced materials created through the integration of aluminum matrices with silicon carbide particle reinforcement. These composites demonstrate superior characteristics compared to conventional aluminum alloys, establishing their relevance across diverse engineering applications. This experimental investigation focuses on developing composites using aluminum as the base matrix while incorporating SiC particles (40-50μm particle size) as reinforcing agents. The reinforcement content was systematically varied from 3 …
Published in Journal of Polymer & Composites · Vol. 13, Issue 6, 2025 · pp. 116–126 Read article
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Regression Analysis of Topological Indices and Physicochemical Properties of Polymer-Based Anticancer Drugs
Abstract: The research analyzed the quantitative correlation between topological indices and the physicochemical properties of selected anticancer compounds using regression analysis. Various topological descriptors—such as the First Zagreb Index, Second Zagreb Index, and Forgotten Index were calculated and regressed against key molecular features, including polar surface area, melting point, and molar refractivity. The regression analysis revealed linear correlations between these topological indices and the properties of anticancer drugs, with particularly strong …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 255–267 Read article
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Investigating the Mechanical Properties and Microstructure of AA 7074 Composites with Silicon Nitride Reinforcement
Abstract: This study investigates the mechanical and microstructural properties of AA 7074 aluminium alloy reinforced with 1%, 3%, and 5% by weight of silicon nitride (Si₃N₄), fabricated via the stir casting method, intended for structural aerospace applications. A thorough series of mechanical tests—comprising tensile, compression, hardness, impact, flexural, and wear tests—was performed to assess the influence of differing reinforcing content. The composite containing 5 wt% Si₃N₄ (SN5) demonstrated the most pronounced …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 268–281 Read article
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From Waste to Strength: Hybrid Binder Approach for Sustainable M25 Concrete
Abstract: The growing demand for concrete in infrastructure development has led to increased cement consumption, raising serious environmental concerns due to high energy use and carbon dioxide emissions correlated with cement manufacturing. In this context, the use of industrial residues as partial substitutions for cement has achieved deep focus as a sustainable construction strategy. The current investigations experimentally explore the strength and quality performance of concrete produced using a hybrid binder …
Published in Journal of Construction Engineering, Technology & Management · Vol. 16, Issue 1, 2026 · pp. 24–32 Read article