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404 articles for “dynamic simulations”
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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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Design and Control of Acetaldehyde Production Process
Abstract: This paper discusses the steady state and dynamic simulations of acetaldehyde production process by using Aspen Plus and Aspen Dynamics. The model developed in the present study is the modification of the process developed by Eastman Chemical Company of U.S. Patent 6,121,498. The proposed design consists of a FEHE (feed effluent heat exchanger), reactor, absorption column, compressors and two distillation columns. Acetic acid reacts with hydrogen and gives acetaldehyde as …
Published in Emerging Trends in Chemical Engineering · Vol. 1, Issue 1, 2014 · pp. 11–21 Read article
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Numerical Simulation of Crack Growth in Dynamic Loading Conditions
Abstract: Because it is crucial for forecasting structural failures in engineering applications, crack formation in materials under dynamic loading circumstances has become a crucial study topic. In this work, finite element methods (FEM) are used to numerically simulate fracture propagation in dynamic stress situations. The impact of loading rates, material characteristics, and crack geometries on crack growth patterns are assessed in a thorough parametric research. The work uses sophisticated computational methods …
Published in International Journal of Fracture Mechanics and Damage Science · Vol. 2, Issue 2, 2024 · pp. 30–34 Read article
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Multi-phase Flow Simulation Using Computational Fluid Dynamics
Abstract: Computational fluid dynamics (CFD)-based multi-phase flow simulation is a fast developing topic with broad applications in many scientific fields and industry. An extensive account of current developments, difficulties, and uses in multi-phase flow simulations is given in this review paper. Important modeling strategies, numerical methods, validation procedures, and new developments in CFD-based multi-phase flow analysis are covered. This paper is to contribute to the ongoing development and use of CFD …
Published in International Journal of Machine Systems and Manufacturing Technology · Vol. 1, Issue 2, 2023 · pp. 28–34 Read article
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A New Computational Method for Dust and Gas Dynamics in Protoplanetary Discs
Abstract: The simultaneous evolution of dust and gas in protoplanetary discs regulates essential events in planet formation, such as dust accumulation, migration, and the initiation of gravitational instabilities. Nevertheless, precisely modelling this interaction continues to provide a significant computing problem owing to the extensive variety of spatial and temporal scales involved. In this study, we introduce an innovative computational framework for simulating dust-gas dynamics in protoplanetary discs, integrating a two-fluid hydrodynamical …
Published in International Journal of Universe · Vol. 1, Issue 2, 2025 · pp. 35–46 Read article
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Statistical Modeling of Heat Transfer and Fluid Dynamics: Application in Mechanical Engineering Design
Abstract: Understanding and optimizing the intricate processes involved in heat transfer and fluid dynamics—two concepts essential to mechanical engineering design—require statistical modeling. Engineers can forecast, regulate, and enhance the performance of systems including heat exchangers, turbines, cooling mechanisms, and different fluid machinery by using statistical approaches. In order to address uncertainties, variability in material properties, boundary conditions, and operational parameters, this work investigates the integration of statistical modeling tools in the …
Published in Research & Reviews : Journal of Statistics · Vol. 13, Issue 2, 2024 · pp. 18–22 Read article
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Neuro-Symbolic Agentic AI for Autonomous Scientific Discovery: Integrating Deep Reinforcement Learning, Quantum Simulation, and XAI-Audited LLM Hypothesis Generation in Drug Target Identification
Abstract: The exponential growth of multi-omics data and the increasing complexity of disease-associated protein interactomes have rendered conventional drug target identification pipelines computationally and epistemologically inadequate. This paper presents the Neuro-Symbolic Agentic AI for Scientific Discovery (NS-AASD) framework, a unified architecture that cohesively integrates deep reinforcement learning (DRL) exploration strategies, variational quantum simulation (VQS) of protein conformational dynamics, and XAI-audited large language model (LLM) hypothesis generation within an autonomous scientific discovery …
Published in Research and Reviews : Journal of Computational Biology · Vol. 15, Issue 2, 2026 Read article
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Design and Ballistic Performance Assessment of Pattern-Optimized Lightweight Composite Armor Using ANSYS Explicit Dynamic and AUTODYN
Abstract: This study investigates the ballistic performance of lightweight composite armor panels designed to defeat 9 mm full-metal-jacket (FMJ) threats using high-fidelity numerical simulations. Four different composite materials were arranged into panels of identical overall dimensions; only the internal segment pattern was varied to explore geometric resistance effects while keeping mass and material type controlled. Ballistic impact simulations were performed using ANSYS Explicit Dynamics and AUTODYN to capture high-strain-rate behavior, local …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 174–190 Read article
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Implementation and Simulation of High-Speed Dynamic Latch Comparator for ADC
Abstract: As per emerging issues in analog-mixed signal (AMS) design towards high-speed and low power, limits the performance of high-speed applications. Circuit complexity, speed, offset voltage and resolutions are essential parameter of comparator that affects the analog-to-digital converter (ADC) performance. Based on specifications, to achieve lower offset voltage and higher load drivability of latched comparator is presented. Moreover, the circuit is able to reduce power dissipation as the topology is based …
Published in Journal of VLSI Design Tools and Technology · Vol. 6, Issue 2, 2016 · pp. 99–103 Read article
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Modulating Immune System of Mosquitoes with A Novel Salicylate Derivative: A Bioinformatics-Based Study
Abstract: The present study aims to compare the interactions of a novel derivative of salicylic acid, 5-(2-nitroethynl) salicylic acid (5-SANA, salicylic acid nitroalkene), and salicylic acid with the critical residues of mosquito’s juvenile hormone binding protein (mJHBP). Given the better water solubility of 5-SANA and salicylic acid, it is believed that they can interact quicker than the natural substrate, juvenile hormone (JH), with the cavity of mJHBP, a circulating protein in …
Published in Research and Reviews : A Journal of Immunology · Vol. 16, Issue 1, 2026 · pp. 1–5 Read article
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The Effect of Methanol on 512 Methane Hydrate Cage Cluster ¬– A Molecular Dynamics Study
Abstract: Molecular dynamic simulation study of methane hydrate cluster having 27 methane encapsulated pentagonal dodecahedron (512) hydrate cage with and without presence of eight methanol molecules in supercell has been performed to evalute the effect of methanol on the stability and formation of methane hydrate cluster. Methanol is found to act as an effective methane hydrate inhibitor below 30 atm pressure for 240 K and below 90 atm pressure for 250 …
Published in Journal of Petroleum Engineering & Technology · Vol. 4, Issue 2, 2014 · pp. 16–24 Read article
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Enzyme Stability Prediction using BERT and CNN-A Deep Learning Approach for Enhanced Biocatalysis
Abstract: An important factor in determining the efficacy of industrial enzymes used in various biotechnological applications is their stability. The goal of this study is to develop a predictive model for industrial enzyme stability, which is essential to the efficiency of these enzymes in biotechnological applications. The research takes a comprehensive strategy to comprehend the parameters affecting enzyme stability by combining statistical analysis, deep learning algorithms (BERT and CNN), and molecular …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 14, Issue 2, 2024 · pp. 19–35 Read article
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Exploring the Role of MAPK3 in Major Depressive Disorder: Molecular Docking, Dynamics, and Binding Free Energy Analysis of Natural Compounds as Alternatives to Conventional Drugs
Abstract: Major Depressive Disorder (MDD) is a prevalent neuropsychiatric disorder with limited treatment efficacy and significant side effects associated with conventional antidepressants. Recent studies have highlighted the role of mitogen-activated protein kinase 3 (MAPK3) in the mechanisms underlying MDD, positioning it as a potential target for the development of novel therapeutic drugs. In this study, we employed various computational approaches to explore natural compounds as viable alternatives to synthetic antidepressants. Researchers …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 53–68 Read article
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Research on Numerical Simulation of Fluids Based on BIM Boundary Conditions in the Lower Fazi River in Taichung
Abstract: Building Information Model (BIM) application in Taiwan, After sorting out the literature, it is found that the water conservancy field is less used, Computer processing technology is becoming more and more mature, Engineering fluid simulation software has various parameter control and high precision, Simulation channel analysis can be controlled by establishing the edge model to control the water conservancy factor, In this study, BIM was introduced into the river section …
Published in Journal of Water Resource Engineering and Management · Vol. 8, Issue 3, 2021 · pp. 1–18 Read article
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Performance of Water Injection in Oil Rim Reservoir Recovery Factor
Abstract: This study examines the potential improvements in recovery factors in optimizing oil production from oil rim reservoirs through water injection and without water injection (i.e. primary production) scenarios in the development strategies of the oil rim reservoirs. A generic simulation model developed from ECLIPSE dynamic simulator was used as core representative of oil rim reservoirs to experiment production optimization with and without water injection. Reservoir data of permeability, oil rim …
Published in Journal of Petroleum Engineering & Technology · Vol. 4, Issue 3, 2014 · pp. 31–38 Read article
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Computational Approaches to Understanding Cellular Signaling Pathways
Abstract: Cellular signaling pathways are fundamental in regulating vital processes, such as cell growth, differentiation, and apoptosis. The intricate and interconnected nature of these signaling networks requires sophisticated methods for their analysis. Computational approaches, including mathematical modeling, network analysis, and machine learning, have revolutionized the way researchers analyze and simulate cellular signaling. This article provides a comprehensive overview of computational strategies employed to model signaling pathways, with a focus on integrating …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 2, Issue 2, 2024 · pp. 8–13 Read article
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A Study on Precision Blood Propulsion in Motor-Driven Artificial Hearts
Abstract: The development of biocompatible, energy-efficient pumping mechanisms is pivotal for advancing artificial heart (AH) technology. This study explores a motor-driven centrifugal pump designed to replicate the physiological dynamics of natural ventricles while mitigating complications associated with conventional axial and pulsatile systems. The proposed system employs a brushless DC motor with closed-loop control, integrated with pressure and flow sensors to modulate rotational speed (RPM) and generate biomimetic cardiac output. The suggested …
Published in Trends in Electrical Engineering · Vol. 16, Issue 1, 2025 · pp. 53–59 Read article
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Design and Energy Analysis of Butyl Acetate Plant using Aspen HYSYS and Aspen Energy Analyzer
Abstract: This paper discusses the design of Butyl acetate production process by using Aspen Hysys. Heat integration is performed for the entire designed plant using Aspen Energy Analyzer. The proposed design consists of a mixer, continuous stirred tank reactor and two distillation columns. Methyl acetate reacts with butyl alcohol and gives the butyl acetate, methanol. The paper is divided in to three parts. In the first part, the entire process plant …
Published in Emerging Trends in Chemical Engineering · Vol. 1, Issue 2, 2014 · pp. 15–26 Read article
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Crystal Engineering Strategies for Tailoring Mechanical Properties of Structural Materials
Abstract: Crystal engineering has emerged as a promising approach for designing materials with tailored mechanical properties, enabling advancements in various fields such as aerospace, automotive, and construction. This review examines the diverse strategies employed in crystal engineering to manipulate the mechanical behavior of structural materials. One key strategy involves controlling the crystal structure at the atomic level through techniques such as alloying, doping, and phase transformations. Alloying introduces foreign atoms into …
Published in International Journal of Crystalline Materials · Vol. 1, Issue 1, 2024 · pp. 01–06 Read article
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Sputter Deposition of Ni/Ti Thin Film and their Molecular Dynamics
Abstract: Ni/Ti multilayer fabricated using DC/RF magnetron sputtering technique. Multilayer of Ni/Ti is deposited by alternate deposition of nickel layer and titanium layer, followed by annealing at different temperatures. Annealing treatment is carried out to achieve NiTi SMA thin films. The annealing was accompanied by inter-diffusion, amorphization and precipitation of various intermetallic phases. Classical molecular dynamics simulations have been performed for the atomic diffusion during annealing of Ni/Ti multilayer using embedded …
Published in Journal of Thin Films, Coating Science Technology & Application · Vol. 3, Issue 2, 2016 · pp. 35–43 Read article