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867 articles for “Simulation”
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Modern Computer-aided Drug Design Methods: A Review
Abstract: Computer-aided drug design (CADD) has emerged as a crucial tool in the drug discovery process, offering a time-efficient and cost-effective approach to identifying potential drug candidates. This review aims to provide an overview of modern CADD methods, including high-throughput screening (HTS), structure-based drug design (SBDD), ligand-based drug design (LBDD), structure-based virtual screening (SBVS), and ligand-based virtual screening (LBVS). We discuss the basic principles, applicability, and limitations of each method, highlighting …
Published in Research and Reviews: A Journal of Dentistry · Vol. 15, Issue 2, 2024 · pp. 14–20 Read article
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Advancements in Molecular Engineering: Innovations at the Nexus of Chemistry and Technology
Abstract: Molecular engineering, a frontier of chemistry, merges precision and innovation to design and assemble molecular structures with unprecedented control. This abstract explores recent advances, highlighting key breakthroughs and their transformative impacts. Starting with its roots in chemical synthesis and materials science, it traces the evolution towards rational design driven by computational tools and advanced characterization techniques, enabling tailored molecular architectures. A focal point is programmable molecules, where DNA nanotechnology principles …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 2, 2023 · pp. 37–43 Read article
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Time and Frequency Response of Non-uniform Overhead Lines Under Corona
Abstract: This study presents an efficient and direct technique for determining both the time and frequency responses of non-uniform overhead power transmission lines operating under corona conditions. The assumed-line's non-uniformity is due to the conductors’ sag. Expressions will be presented for the location-dependent line surge impedance and the unevenly distributed lines’ electrical parameters. The analysis starts with solving the relevant system of differential and algebraic equations, subject to the boundary conditions. …
Published in International Journal of Electrical Machine Analysis and Design · Vol. 2, Issue 2, 2024 · pp. 25–33 Read article
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A Comparative Study on Formaldehyde Detection Capabilities in Pristine Graphene and Ag-doped Graphene Sheet
Abstract: The present work concerns a detailed investigation of the enhanced formaldehyde (also known as methanal) detection by decorating the pristine (or bare) graphene nanosheet with silver (Ag) nano-particle (or foreign Ag atom). The bare graphene sheet was exposed to the formaldehyde vapor forming the formaldehyde-adsorbed pristine graphene sheet (taken as Case-I), and whose results were studied and compared with the outcomes obtained from the formaldehyde-adsorbed Ag-decorated graphene sheet (taken as …
Published in Journal of Polymer & Composites · Vol. 13, Issue 1, 2025 · pp. 801–809 Read article
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Design, Analysis, and Testing of a Carbon Fibre-based Solid Rocket Motors
Abstract: The goal of the research is to simulate the outer shell of a rocket in order to fulfil mission criteria. Case failures can occur for a number of causes, including poor material selection, carelessness in the service conditions, inadequate non-destructive testing during crucial stages of production, and poor design and analysis. For this reason, it is crucial to simulate rockets with precise design and analysis. The study entails the designing …
Published in Journal of Polymer & Composites · Vol. 13, Issue 2, 2025 · pp. 650–669 Read article
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Time History Analysis of Subway Tunnel Under Internal Blast Loading
Abstract: The primary objective of this study is to investigate the effect of surrounding ground media over the structural responses of tunnel lining under internal blast loading. For this purpose, time history analysis of tunnel is carried out using Explicit Dynamic Analysis in ABAQUS and blast load is modelled using CONWEP technique. The structural responses are recorded in terms of stress and strain of tunnel lining at the apex point of …
Published in Journal of Structural Engineering and Management · Vol. 12, Issue 2, 2025 Read article
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Turbulence Exploitation in Offshore Wind Farms: Improvement in Generated Power
Abstract: The limited space available for wind energy projects highlights the importance of improving the efficiency of wind farms, like the exploitation of turbulent wakes. In this work, we analyze the available energy associated with the turbulent wakes generated by offshore wind turbines at various downstream distances using a computational fluid dynamics (CFD) program (Autodesk). Classical wind conditions for offshore wind farms are established for the probability distribution of wind speed, …
Published in Journal of Offshore Structure and Technology · Vol. 12, Issue 2, 2025 · pp. 22–35 Read article
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Generative AI for VR: Creating Physically Realistic Models
Abstract: Virtual Reality has revolutionized the traditional learning system by creating and interactive and engaging environment. However, its ability to show precise real-world experiences is limited due to lack of physical realism. This study investigates the potential of Generative Adversarial Network (GAN) in creating physically realistic 3D models. Proposed system incorporates deep learning techniques along with physics-based constraints to enhance model’s accuracy and usability. To achieve this, experiments were conducted on …
Published in Journal of Advancements in Robotics · Vol. 12, Issue 3, 2025 · pp. 14–22 Read article
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Samelisant, an H3 Receptor Agonist as an Anti-Alzheimer Potential – A Pilot Study on Molecular Docking
Abstract: Neurodegenerative diseases have become more prevalent and about 55 million of the population are affected by dementia globally. One of the most important neurodegenerative diseases is Alzheimer’s disease which is known for its effect on memory and cognitive impairment. Alzheimer’s disease (AD) is an area of intense scientific investigation due to its high prevalence and the lack of a definitive cure. Amyloid precursor protein plays a central role in Alzheimer’s …
Published in International Journal of Brain Sciences · Vol. 3, Issue 1, 2026 · pp. 15–26 Read article
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Microvita as a Fermi-Boson Hybrid Quantum Excitation: A Statistical Pathway Toward Unified Physics, Chemistry, and Biological Organization
Abstract: This article reformulates Microvita as a hybrid quantum excitation that interpolates continuously between fermionic and bosonic statistical behavior. A generalized operator algebra, a dynamical statistical order parameter, and a Lorentz-covariant field equation are used to frame Microvita as an effective unification scheme rather than a mere philosophical construct. The formalism predicts renormalization-group flow between infrared fermionic and ultraviolet bosonic limits, while numerical profiles suggest vacuum-energy smoothing and topological-defect suppression in …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 17, Issue 1, 2026 · pp. 115–122 Read article
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Fracture Analysis of Functionally Graded Material (FGM) Plates Using Extended Finite Element Method: A Review.
Abstract: Functionally Graded Materials (FGMs), have drawn a lot of interest in various engineering applications due to their superior mechanical properties and ability to withstand extreme conditions. Fracture analysis in FGMs focuses on understanding how cracks initiate and propagate within these complex materials. The stress distribution becomes irregular due to spatial property variations which produces different crack paths than what occurs in homogeneous materials. The examination of FGM plates under fracture …
Published in International Journal of Fracture Mechanics and Damage Science · Vol. 4, Issue 1, 2026 · pp. 9–15 Read article
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Thermo-hydraulic Performance of Annular-Finned Double-Pipe Heat Exchanger: Numerical and Experimental Investigation of Metallic and Polymer Composite Tube Wall Materials
Abstract: Double-pipe heat exchangers are central to the process industries — dependable, easily maintained, and straightforward to fabricate. Their conventional form relies on metallic tube materials, most often copper or stainless steel. Both metals conduct heat well, but they are dense, prone to corrosion in aggressive service environments, and increasingly at odds with the light-weighting goals that drive modern system design. Fibre-reinforced polymer composites, epoxy-based materials, and thermally enhanced thermoplastics such …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 891–909 Read article
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Model to Predict a Ratio Control of Hydrocarbon Acid and Water in a Packed Bed Reactor
Abstract: Model development was carried out to examine the ratio of hydrochloric acid gas and water in a packed bed reactor. The research predicted increase in output with increase in time, revealing the effectiveness ratio control of hydrochloric acid separation from water using absorption column mechanism. The density of the products played an active role in the separation process as well as in control action function. The developed model can be …
Published in Emerging Trends in Chemical Engineering Read article
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Comparative Study of Symmetric and Asymmetric Oxide Double Gate Junction less FET
Abstract: we carry out the performance of symmetric oxide (HfO2+HfO2) and asymmetric oxide (SiO2+HfO2) n-type junction less field-effect transistor (JLFET) based on two- dimensional Poisson equation. This study is accomplished by simulating a symmetric and asymmetric double gate JLFET on Sentaurus, Technology Computer Aided Design (TCAD) simulator for Silicon (Si) material at room temperature and varying temperature in between 300-360 k. Based on device simulation we find that the asymmetric oxide …
Published in Journal of Semiconductor Devices and Circuits Read article
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Control System Operational Protocol for Dual DC Electric Motor Configuration in Electric Vehicles
Abstract: This paper is focused on the analysis of the performance of DC electric motor for electric vehicles (EV) in urban and intercity routes. The paper analyzes the different driving conditions in both types of routes reproducing the most current situations and how they influence the electric motor performance. The study is focused on a dual electric motor configuration, series and parallel, which equips an electric vehicle prototype, evaluating the power …
Published in Journal of Mechatronics and Automation Read article
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Numerical Analysis of Battery Thermal Management Using Phase Change Material Concerning Melting Fraction and Temperature
Abstract: This work, analysis and simulates a phase change material melting for battery thermal management (BTM). Phase change materials (PCM) are the substances that, undergo through a phase transition, such as melting from solid to liquid by absorbing or releasing a significant amount of energy as heat. PCM is advantageous for the thermal control of batteries because of this characteristic. As the battery produces heat, the PCM surrounding it absorbs the …
Published in Journal of Polymer & Composites · Vol. 11, Issue 8, 2023 · pp. 19–31 Read article
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Enhancing Health, Safety, and Environmental Awareness through Animation: A Multifaceted Approach
Abstract: Animation is a process of visualizing different modes of communication by making an illusion of motion in sequences, which makes an easy medium between the maker and the viewer. Animation design is poised to revolutionize the realms of environment, health, and safety in the future world. This study explores the pivotal role of animation in these domains and its potential impact on shaping a more sustainable and secure future. Concerning …
Published in Research and Reviews: A Journal of Health Professions · Vol. 14, Issue 1, 2024 · pp. 58–68 Read article
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Modelling of Large Elasto-plastic Deformations by EFGM
Abstract: Current work reports modelling and simulation of geometric and material nonlinearities arising due large elasto-plastic displacements in structural specimens by invoking enriched element free Galerkin method (EFGM). The displacement approximations are constructed by using moving least square approach. Standard displacement based approximations are modified by incorporating suitable enrichment functions depending on the nature of interfaces present in the components. Large deformations give rise to geometric nonlinearities which have been modelled …
Published in Journal of Polymer & Composites · Vol. 12, Issue 2, 2024 · pp. 130–143 Read article
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High-speed Data Converter Architectures: Latched Comparator Design & Performance Comparison
Abstract: This paper focuses on the design and optimization of latch comparators for high-speed data converter applications. The performance of different comparator architectures is compared in terms of speed, power consumption, and noise performance. The proposed latch comparator architecture uses a preamplifier to boost gain and sensitivity, and a latch to store the output signal. The latch comparator design is optimized for low power consumption and high speed, and is implemented …
Published in Journal of VLSI Design Tools and Technology · Vol. 14, Issue 1, 2024 · pp. 23–32 Read article
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Water reservoir engineering and management
Abstract: This work aims to develop a practical system to store water in times of abundance and reuse it in times of scarcity. The proposed system uses natural caves, caverns, or empty underground spaces from mining or oil or gas extraction to store water. The geological structure of the water reservoir should be a non-porous substrate to avoid leakage. Water collection comes from dam discharge during thaw times or river flooding, …
Published in Journal of Water Resource Engineering and Management · Vol. 11, Issue 1, 2024 · pp. 1–12 Read article