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238 articles for “Structure–property modeling”
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Emerging Trends in Applications of Semiconductor Alloys in Wireless Communications
Abstract: AbstractArsenide semiconductor alloys provide a natural means of tuning the magnitude of the forbidden gap and other material parameters so as to optimise and widen the application of semiconductor devices. With the advent of small-structure systems, for instance quantum wells and superlattices, the special effects of alloy composition, size, device geometry, doping and controlled lattice strain can be collective to accomplish maximum tunability. In this article, the concepts and ideas …
Published in Journal of Semiconductor Devices and Circuits · Vol. 3, Issue 1, 2016 · pp. 31–41 Read article
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Modelling Initial Design of Steel Portal Frame using ANN
Abstract: Structural Engineering involves the understanding and modeling of natural phenomenon, material behavior and laws of mechanics, intuition, past experience or expertise and knowledge of analysis techniques. Especially in structural design, the difficulty in problem definition and the large number of constraints makes it difficult to program a machine for computerization of the total design process. The analysis of structure is performed based on the initial design and redesign of the …
Published in Journal of Aerospace Engineering & Technology · Vol. 6, Issue 2, 2016 · pp. 16–20 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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Mathematical Modelling of Semiconductor Device Physics: An Analytical Approach
Abstract: Semiconductor device physics forms the foundation of modern electronic and optoelectronic technologies. Mathematical modelling provides a rigorous framework for understanding, predicting, and optimizing the behavior of semiconductor devices by linking physical principles with device-level performance. This work presents an analytical approach to the mathematical modelling of semiconductor devices, emphasizing the derivation and interpretation of governing equations that describe charge transport and electrostatic behavior. The model is based on fundamental physical …
Published in Research & Reviews: Discrete Mathematical Structures · Vol. 13, Issue 1, 2026 · pp. 36–42 Read article
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Comprehensive Review of the Fundamental and Functional Properties of Crystalline Materials
Abstract: Crystalline materials, characterized by their highly ordered atomic arrangements, serve as the backbone of modern engineering and technology. This review provides a detailed examination of their diverse properties, categorized into mechanical, thermal, electrical, and optical domains. We analyze fundamental mechanical parameters such as the elastic modulus, yield strength, and fracture toughness, alongside functional behaviors like fatigue and creep. The discussion extends to thermal transport and expansion, electrical conductivity and resistivity, …
Published in International Journal of Crystalline Materials · Vol. 3, Issue 1, 2026 · pp. 20–24 Read article
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Experimental and CFD Investigation of an Epoxy-Based Thermally Conductive Polymer Composite U-Tube Shell-and-Tube Heat Exchanger: A Lightweight Alternative to Conventional Metal Systems
Abstract: Shell-and-tube heat exchangers continue to play a critical role in industrial thermal systems; however, their conventional design based on fully metallic materials often leads to challenges related to weight, corrosion, and cost. In recent years, thermally conductive polymer composites have emerged as promising alternatives, offering improved corrosion resistance and design flexibility. In this study, the thermo-hydraulic performance of a U-tube shell-and-tube heat exchanger is investigated by partially replacing conventional metallic …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 685–700 Read article
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Graph Neural Networks for Molecular Scale Property Prediction and Inverse Design of Thermoset Polymer Nanocomposites: A Computational Framework
Abstract: Thermoset polymer nanocomposites exhibit properties that are highly sensitive to molecular scale formulation decisions, yet the vast design space remains largely unexplored because of the high cost of experimental characterisation and fully atomistic simulation. This paper presents TNC GNN, a dual mode graph neural network framework developed for the computational design of thermoset nanocomposite formulations. The forward module employs an attention augmented Message Passing Neural Network with 3D geometric encoding …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Assessing Nanomaterial Toxicity and Environmental Behavior: Toward Sustainable and Safe Nanotechnology
Abstract: The rapid advancement of nanotechnology has introduced engineered nanomaterials into diverse sectors including medicine, agriculture, electronics, and consumer products. However, the unique physicochemical properties that make nanomaterials valuable also raise significant concerns about their potential toxicity to human health and ecological systems. This study presents a comprehensive survey-based analysis of 400 respondents from diverse professional backgrounds across seven countries to assess perceptions and understanding of nanomaterial toxicity mechanisms and environmental …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 28, Issue 1, 2025 · pp. 1–11 Read article
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Modeling of ZnO Based Nano Sensor Device for Evaluating Electronic Interaction with NO2 Pollutant: Combining Multiphysics Simulation and DFT Study
Abstract: This study focuses on the designing and modeling of a sensor device employing zinc oxide (ZnO) nanowires (NWs), and the evaluation of the chemical response of the same in the presence of nitrogen dioxide (NO2), which is an acute harmful pollutant for human health and environment. Experimentally synthesized ZnO nanostructures were used as the basis for modeling of the ZnO NWs based sensor device along with a single ZnO NW, …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 211–219 Read article
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Study of Algebraic Structures in Discrete Mathematics and Its Applications
Abstract: Algebraic structures such as groups, rings, fields, semi groups, and lattices form the foundational framework of discrete mathematics. These structures are defined by specific sets and operations that follow algebraic laws, enabling a systematic approach to problem-solving in various domains. This paper explores the theoretical principles of these algebraic systems and highlights their vital role in computer science, cryptography, automata theory, coding theory, and software engineering. By examining their properties …
Published in Emerging Trends in Symmetry · Vol. 1, Issue 1, 2025 · pp. 35–40 Read article
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Interfacial Bonding Efficiency in Jute-Carbon Fiber Polyester Matrix Composites Evaluated Through Short-Beam Shear and Interlaminar Fracture Toughness Testing
Abstract: The natural Fiber–synthetic Fiber hybrid composites are jute–carbon Fiber hybrid in polyester matrix which could be used in semi-structural applications of automotive, construction and marine industry as an eco-friendly and cost-effective alternative of conventional carbon Fiber reinforced polymer. But the hydrophilic nature of jute Fibers and the relatively inert surface of carbon Fiber’s cause weak bonding at the interface of the polyester matrix, which causes premature delamination, poor interlaminar shear …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 · pp. 68–80 Read article
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Mechanical Strength Prediction of Nano-Silica Concrete Composites Using Machine Learning Techniques
Abstract: Nano-silica, or nanosilica, refers to silicon dioxide nanoparticles, which are a kind of silica (SiO₂) with diameters that often fall below 100 nanometers. This nanomaterial has attracted considerable attention because of its distinctive characteristics and diverse array of uses, notably in augmenting the performance of materials such as concrete. The integration of nanoparticles with cementitious matrix in nano-silica concrete offers a viable approach to improving the mechanical characteristics and longevity …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 963–973 Read article
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Analysis of Composite Behavior of Masonry Wall and Supporting Beam
Abstract: Composite behavior of brick masonry wall and supporting beam is outlined through this topic. Masonry in filled reinforced concrete construction is most common in urban and rural areas. The composite behavior of masonry and the supporting beam is neglected in the modern structural design. In the present study, finite element analysis is used for analysis of composite action of wall and supporting beam. Materials are modeled using Macro modeling. The …
Published in Journal of Structural Engineering and Management · Vol. 3, Issue 2, 2016 · pp. 20–28 Read article
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Modelling of Concrete Slab Tensile Stresses for Apron International Al-Najaf Airport
Abstract: The objective of this study was to develop Three Dimensional Finite Element Model (3D-FEM) that can be used to investigate the structural analysis of apron area plain and reinforced concrete slab under Airbus A380-800 aircraft land gear loading. The computer program ANSYS (2014) was selected to develop 3D-FEM for this study. Suggested rigid pavement for apron area was studied with different thickness (20,30, 40 and 50 mm) and Young modululi …
Published in Trends in Transport Engineering and Applications · Vol. 3, Issue 2, 2016 · pp. 7–18 Read article
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Using FEA Simulation and Photoelasticity Techniques to observe Integrated Stress Pattern for Transparent Polycarbonate Rectangular Specimen having Arc Feature
Abstract: In the fields of mechanics and materials science, photoelasticity is a reliable experimental method that provides a visual evaluation and analysis of the distribution of stress in materials that are transparent or translucent. This non-destructive testing technique uses the special property of materials known as birefringence, or double refraction, to visualise stress on a model under load. The process involves building a physical model that mimics real-world structures, applying mechanical …
Published in Journal of Polymer & Composites · Vol. 12, Issue 3, 2024 · pp. 55–63 Read article
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Hydrogel as a Drug Delivery System
Abstract: Hydrogels are hydrophilic three-dimensional, polymeric networks system. Hydrogel are hydrophilic system and capable of absorbing large amounts of aqueous solvent. It behaves like a semisolid system and generally follow non-Newtonian property. Hydrogel provide easy application, good spreadibility, non-grease, non-staining properly etc. Moreover, hydrogels can be converted to variety of forms apart depending upon the requirement including Newtonian and non-Newtonian slabs, microparticles, nanoparticles, topical gel, films etc. Hydrogels are commonly used …
Published in Trends in Drug Delivery · Vol. 10, Issue 3, 2023 · pp. 33–39 Read article
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Impact of Reinforcement Materials and Processing Condition Optimization in Microstructural Engineering of Polymer Composites
Abstract: Polymer mixtures have gotten a lot of attention because they have a unique set of qualities that make them useful in many situations. But the substructure of these alloys is very important for getting the best performance. It looks at how to improve the microstructure of polymer composites by finding the best support materials and working conditions. The choice of strengthening materials is the first thing that is talked about. …
Published in Journal of Polymer & Composites · Vol. 12, Issue 4, 2024 · pp. 102–118 Read article
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Performance Analysis of Dual Junction Solar Cell Devices utilizing Subcells of In0.51Ga0.49P and GaAs to Study Key Solar Cell Parameters via TCAD based Simulation
Abstract: In the present work, a multi-junction solar cell was designed to obtain better performance over single-junction solar cells. The proposed structure is composed of different layers of diverse semiconductor materials stacked on each other. Here, an In0.51Ga0.49P/GaAs double-junction solar cell was outlined as having a distinctive composite material (GaAs) as the tunneling junction. To optimize the solar cell's effectiveness, In0.47Ga0.15Al0.37P was used in the window layer and the back-surface field …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 829–837 Read article
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Artificial Intelligence-Based Optimization of Mechanical and Biocompatible Properties in Polymer Composite Implants
Abstract: Artificial Intelligence (AI) has already become a ground-breaking tool of streamlining polymer composite implants to enhance both mechanical strength and biocompatibility simultaneously. This paper recommend an AI-based multi-objective optimization model, which integrates the selection of materials, structural modelling, and biological evaluation. The in vitro biocompatibility indicators, including cytotoxicity and cell adhesion, can be used to model mechanical behavior, e.g. stress-strain behavior and fatigue behavior. To arrive at an optimal material …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Experimental and Polynomial Regression Modelling of Tensile Characteristics of Hybrid Jute/Hemp Fiber Composites
Abstract: The present study aims to develop hybrid jute-hemp fiber/epoxy composites by the hand lay-up process with 60% of fiber reinforcement and 40 % of matrix ratio. To measure the change of tensile properties, prepared hybrid composites were tested for normal tensile strength and edge notch tensile (ENT) test as per the ASTM standards. Findings show that, developed composites with reported tensile strength followed by comparing it with fracture toughness. Experimentally, …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 47–58 Read article